CAS RN: 7465-55-6
CAS Name: N-phenylcarbamic acid (2,3-dimethoxyphenyl)methyl ester
OPENEYE Name: (2,3-dimethoxyphenyl)methyl N-phenylcarbamate
IUPAC Name: (2,3-dimethoxyphenyl)methyl N-phenylcarbamate
SYSTEMATIC NAME: (2,3-dimethoxyphenyl)methyl N-phenylcarbamate
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: COC1=CC=CC(=C1OC)COC(=O)NC2=CC=CC=C2
Structure:
CAS RN: 7405-12-1
CAS Name: 2-(hydroxymethyl)-5-methylphenol
OPENEYE Name: 2-(hydroxymethyl)-5-methyl-phenol
IUPAC Name: 2-(hydroxymethyl)-5-methylphenol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-methyl-phenol
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: CC1=CC(=C(C=C1)CO)O
Structure:
CAS RN: 7405-11-0
CAS Name: 2-(chloromethyl)-5-methylphenol
OPENEYE Name: 2-(chloromethyl)-5-methyl-phenol
IUPAC Name: 2-(chloromethyl)-5-methylphenol
SYSTEMATIC NAME: 2-(chloromethyl)-5-methyl-phenol
MOLECULAR FORMULA: C8H9ClO
MOLECULAR WEIGHT: 156.60946
SMILES: CC1=CC(=C(C=C1)CCl)O
Structure:
CAS RN: 769-52-8
CAS Name: 4-amino-2-methyl-5-pyrimidinecarboxylic acid
OPENEYE Name: 4-amino-2-methyl-pyrimidine-5-carboxylic acid
IUPAC Name: 4-amino-2-methylpyrimidine-5-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-2-methyl-pyrimidine-5-carboxylic acid
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: CC1=NC=C(C(=N1)N)C(=O)O
Structure:
CAS RN: 7405-10-9
CAS Name: 2,2-dibromocyclopent-4-ene-1,3-dione
OPENEYE Name: 2,2-dibromocyclopent-4-ene-1,3-dione
IUPAC Name: 2,2-dibromocyclopent-4-ene-1,3-dione
SYSTEMATIC NAME: 2,2-bis(bromanyl)cyclopent-4-ene-1,3-dione
MOLECULAR FORMULA: C5H2Br2O2
MOLECULAR WEIGHT: 253.87618
SMILES: C1=CC(=O)C(C1=O)(Br)Br
Structure:
CAS RN: 7405-05-2
CAS Name: (3-propan-2-ylphenoxy)-(4-propan-2-ylphenoxy)-[[(3-propan-2-ylphenoxy)-(4-propan-2-ylphenoxy)phosphinothioyl]trisulfanyl]-sulfanylidenephosphorane
OPENEYE Name: (3-isopropylphenoxy)-(4-isopropylphenoxy)-[[(3-isopropylphenoxy)-(4-isopropylphenoxy)phosphinothioyl]trisulfanyl]-thioxo-$l^{5}-phosphane
IUPAC Name: (3-propan-2-ylphenoxy)-(4-propan-2-ylphenoxy)-[[(3-propan-2-ylphenoxy)-(4-propan-2-ylphenoxy)phosphinothioyl]trisulfanyl]-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (3-propan-2-ylphenoxy)-(4-propan-2-ylphenoxy)-[[(3-propan-2-ylphenoxy)-(4-propan-2-ylphenoxy)phosphinothioyl]trisulfanyl]-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C36H44O4P2S5
MOLECULAR WEIGHT: 763.004682
SMILES: CC(C)C1=CC=C(C=C1)OP(=S)(OC2=CC=CC(=C2)C(C)C)SSSP(=S)(OC3=CC=C(C=C3)C(C)C)OC4=CC=CC(=C4)C(C)C
Structure:
CAS RN: 7405-04-1
CAS Name: (3-methylphenoxy)-(4-methylphenoxy)-[[(3-methylphenoxy)-(4-methylphenoxy)phosphinothioyl]trisulfanyl]-sulfanylidenephosphorane
OPENEYE Name: (3-methylphenoxy)-(4-methylphenoxy)-[[(3-methylphenoxy)-(4-methylphenoxy)phosphinothioyl]trisulfanyl]-thioxo-$l^{5}-phosphane
IUPAC Name: (3-methylphenoxy)-(4-methylphenoxy)-[[(3-methylphenoxy)-(4-methylphenoxy)phosphinothioyl]trisulfanyl]-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (3-methylphenoxy)-(4-methylphenoxy)-[[(3-methylphenoxy)-(4-methylphenoxy)phosphinothioyl]trisulfanyl]-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C28H28O4P2S5
MOLECULAR WEIGHT: 650.792042
SMILES: CC1=CC=C(C=C1)OP(=S)(OC2=CC=CC(=C2)C)SSSP(=S)(OC3=CC=C(C=C3)C)OC4=CC=CC(=C4)C
Structure:
CAS RN: 7405-02-9
CAS Name: (dipentoxyphosphinothioylthio)formic acid ethyl ester
OPENEYE Name: ethyl dipentoxyphosphinothioylsulfanylformate
IUPAC Name: ethyl dipentoxyphosphinothioylsulfanylformate
SYSTEMATIC NAME: ethyl dipentoxyphosphinothioylsulfanylmethanoate
MOLECULAR FORMULA: C13H27O4PS2
MOLECULAR WEIGHT: 342.454841
SMILES: CCCCCOP(=S)(OCCCCC)SC(=O)OCC
Structure:
CAS RN: 7405-01-8
CAS Name: [[[[pentoxy(sulfanylidene)methyl]thio]-sulfanylidenemethyl]thio]methanethioic acid O-pentyl ester
OPENEYE Name: O-pentyl pentoxycarbothioylsulfanylcarbothioylsulfanylmethanethioate
IUPAC Name: O-pentyl pentoxycarbothioylsulfanylcarbothioylsulfanylmethanethioate
SYSTEMATIC NAME: O-pentyl pentoxycarbothioylsulfanylcarbothioylsulfanylmethanethioate
MOLECULAR FORMULA: C13H22O2S5
MOLECULAR WEIGHT: 370.63758
SMILES: CCCCCOC(=S)SC(=S)SC(=S)OCCCCC
Structure:
CAS RN: 7405-00-7
CAS Name: [[butan-2-yloxy(sulfanylidene)methyl]tetrasulfanyl]methanethioic acid O-butan-2-yl ester
OPENEYE Name: O-sec-butyl (sec-butoxycarbothioyltetrasulfanyl)methanethioate
IUPAC Name: O-butan-2-yl (butan-2-yloxycarbothioyltetrasulfanyl)methanethioate
SYSTEMATIC NAME: O-butan-2-yl (butan-2-yloxycarbothioyltetrasulfanyl)methanethioate
MOLECULAR FORMULA: C10H18O2S6
MOLECULAR WEIGHT: 362.63872
SMILES: CCC(C)OC(=S)SSSSC(=S)OC(C)CC
Structure:
CAS RN: 7404-99-1
CAS Name: (diethoxyphosphinothioylthio)formic acid ethyl ester
OPENEYE Name: ethyl diethoxyphosphinothioylsulfanylformate
IUPAC Name: ethyl diethoxyphosphinothioylsulfanylformate
SYSTEMATIC NAME: ethyl diethoxyphosphinothioylsulfanylmethanoate
MOLECULAR FORMULA: C7H15O4PS2
MOLECULAR WEIGHT: 258.295361
SMILES: CCOC(=O)SP(=S)(OCC)OCC
Structure:
CAS RN: 7404-97-9
CAS Name: N-(2-phenylphenyl)benzamide
OPENEYE Name: N-(2-phenylphenyl)benzamide
IUPAC Name: N-(2-phenylphenyl)benzamide
SYSTEMATIC NAME: N-(2-phenylphenyl)benzamide
MOLECULAR FORMULA: C19H15NO
MOLECULAR WEIGHT: 273.3285
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 7501-91-9
CAS Name: 3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole
OPENEYE Name: 3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole
IUPAC Name: 3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole
SYSTEMATIC NAME: 3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole
MOLECULAR FORMULA: C23H17N3O2
MOLECULAR WEIGHT: 367.39998
SMILES: C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54
Structure:
CAS RN: 7770-54-9
CAS Name: 4-[bis(2-methyl-1H-indol-3-yl)methyl]aniline
OPENEYE Name: 4-[bis(2-methyl-1H-indol-3-yl)methyl]aniline
IUPAC Name: 4-[bis(2-methyl-1H-indol-3-yl)methyl]aniline
SYSTEMATIC NAME: 4-[bis(2-methyl-1H-indol-3-yl)methyl]aniline
MOLECULAR FORMULA: C25H23N3
MOLECULAR WEIGHT: 365.47022
SMILES: CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)N)C4=C(NC5=CC=CC=C54)C
Structure:
CAS RN: 7506-08-3
CAS Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-2-methyl-4-oxobutanoic acid
OPENEYE Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-2-methyl-4-oxo-butanoic acid
IUPAC Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-2-methyl-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]amino]-2-methyl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C29H27N3O3
MOLECULAR WEIGHT: 465.54298
SMILES: CC(CC(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C(=O)O
Structure:
CAS RN: 7598-48-3
CAS Name: 9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: 9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: 9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: 9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C27H30O13
MOLECULAR WEIGHT: 562.5193
SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C(C(O6)CO)O)O)O
Structure:
CAS RN: 55340-44-8
CAS Name: N-[10-[bis(2-hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
OPENEYE Name: N-[10-[bis(2-hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
IUPAC Name: N-[10-[bis(2-hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
SYSTEMATIC NAME: N-[10-[bis(2-hydroxyethyl)amino]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide
MOLECULAR FORMULA: C25H32N2O7
MOLECULAR WEIGHT: 472.53078
SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N(CCO)CCO)OC)OC)OC
Structure:
CAS RN: 67620-25-1
CAS Name: N-[1,2,3-trimethoxy-9-oxo-10-(propylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
OPENEYE Name: N-[1,2,3-trimethoxy-9-oxo-10-(propylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
IUPAC Name: N-[1,2,3-trimethoxy-9-oxo-10-(propylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
SYSTEMATIC NAME: N-[1,2,3-trimethoxy-9-oxidanylidene-10-(propylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide
MOLECULAR FORMULA: C24H30N2O5
MOLECULAR WEIGHT: 426.5054
SMILES: CCCNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C
Structure:
CAS RN: 7008-42-6
CAS Name: 6-methoxy-3,3,12-trimethyl-7-pyrano[2,3-c]acridinone
OPENEYE Name: 6-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one
IUPAC Name: 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
SYSTEMATIC NAME: 6-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one
MOLECULAR FORMULA: C20H19NO3
MOLECULAR WEIGHT: 321.36976
SMILES: CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C
Structure:
CAS RN: 1616-93-9
CAS Name: acetic acid (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) ester
OPENEYE Name: (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate
IUPAC Name: (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate
SYSTEMATIC NAME: (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) ethanoate
MOLECULAR FORMULA: C32H52O2
MOLECULAR WEIGHT: 468.75408
SMILES: CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
Structure:
CAS RN: 10225-47-5
CAS Name: acetic acid (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl) ester
OPENEYE Name: (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl) acetate
IUPAC Name: (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl) acetate
SYSTEMATIC NAME: (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl) ethanoate
MOLECULAR FORMULA: C32H52O2
MOLECULAR WEIGHT: 468.75408
SMILES: CC(=O)OC1CCC2(C3CCC4C5=CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)(C)C)C
Structure:
CAS RN: 7404-92-4
CAS Name: 5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
OPENEYE Name: 5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
IUPAC Name: 5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: 5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C24H26O8
MOLECULAR WEIGHT: 442.45844
SMILES: CCOC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
Structure:
CAS RN: 55340-40-4
CAS Name: N-[10-(2-hydroxyethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
OPENEYE Name: N-[10-(2-hydroxyethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
IUPAC Name: N-[10-(2-hydroxyethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
SYSTEMATIC NAME: N-[10-(2-hydroxyethylamino)-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide
MOLECULAR FORMULA: C23H28N2O6
MOLECULAR WEIGHT: 428.47822
SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCO)OC)OC)OC
Structure:
CAS RN: 7404-90-2
CAS Name: 8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-6-benzo[f][1,3]benzodioxolecarboxylic acid methyl ester
OPENEYE Name: methyl 8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate
IUPAC Name: methyl 8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate
SYSTEMATIC NAME: methyl 7-(hydroxymethyl)-8-oxidanyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate
MOLECULAR FORMULA: C23H22O9
MOLECULAR WEIGHT: 442.41538
SMILES: COC1=CC(=CC(=C1OC)OC)C2=C(C(=C(C3=CC4=C(C=C32)OCO4)O)CO)C(=O)OC
Structure:
CAS RN: 19186-35-7
CAS Name: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
OPENEYE Name: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
IUPAC Name: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
SYSTEMATIC NAME: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
MOLECULAR FORMULA: C22H22O7
MOLECULAR WEIGHT: 398.40588
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
Structure:
CAS RN: 69222-20-4
CAS Name: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
OPENEYE Name: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
IUPAC Name: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
SYSTEMATIC NAME: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
MOLECULAR FORMULA: C22H22O7
MOLECULAR WEIGHT: 398.40588
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
Structure:
CAS RN: 7404-89-9
CAS Name: 1-(3,4-dimethoxyphenyl)-3-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
OPENEYE Name: 1-(3,4-dimethoxyphenyl)-3-hydroxy-6,7-dimethoxy-tetralin-2-carboxylic acid
IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxidanyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
MOLECULAR FORMULA: C21H24O7
MOLECULAR WEIGHT: 388.41106
SMILES: COC1=C(C=C(C=C1)C2C(C(CC3=CC(=C(C=C23)OC)OC)O)C(=O)O)OC
Structure:
CAS RN: 7404-87-7
CAS Name: [1-[5-[2-[3-[1-(carbamoylhydrazinylidene)ethyl]-4-hydroxy-4-methyl-1-nitrocyclohexyl]ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethylideneamino]urea
OPENEYE Name: [1-[2-hydroxy-5-[2-[4-hydroxy-4-methyl-3-(C-methyl-N-ureido-carbonimidoyl)-1-nitro-cyclohexyl]ethyl]-2-methyl-5-nitro-cyclohexyl]ethylideneamino]urea
IUPAC Name: [1-[5-[2-[3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-4-hydroxy-4-methyl-1-nitrocyclohexyl]ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethylideneamino]urea
SYSTEMATIC NAME: 1-[1-[5-[2-[3-[N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-4-methyl-1-nitro-4-oxidanyl-cyclohexyl]ethyl]-2-methyl-5-nitro-2-oxidanyl-cyclohexyl]ethylideneamino]urea
MOLECULAR FORMULA: C22H38N8O8
MOLECULAR WEIGHT: 542.58592
SMILES: CC(=NNC(=O)N)C1CC(CCC1(C)O)(CCC2(CCC(C(C2)C(=NNC(=O)N)C)(C)O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7465-52-3
CAS Name: 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioic acid dimethyl ester
OPENEYE Name: dimethyl 4,7-bis(3-methoxy-3-oxo-propyl)-4,7-dinitro-decanedioate
IUPAC Name: dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate
SYSTEMATIC NAME: dimethyl 4,7-bis(3-methoxy-3-oxidanylidene-propyl)-4,7-dinitro-decanedioate
MOLECULAR FORMULA: C20H32N2O12
MOLECULAR WEIGHT: 492.47428
SMILES: COC(=O)CCC(CCC(=O)OC)(CCC(CCC(=O)OC)(CCC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7404-86-6
CAS Name: 4-nitro-1-phenyl-1-hexanone
OPENEYE Name: 4-nitro-1-phenyl-hexan-1-one
IUPAC Name: 4-nitro-1-phenylhexan-1-one
SYSTEMATIC NAME: 4-nitro-1-phenyl-hexan-1-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CCC(CCC(=O)C1=CC=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 7404-85-5
CAS Name: 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoic acid methyl ester
OPENEYE Name: methyl 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-pentanoate
IUPAC Name: methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate
SYSTEMATIC NAME: methyl 2-cyano-5-oxidanylidene-2-(3-oxidanylidene-3-phenyl-propyl)-5-phenyl-pentanoate
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: COC(=O)C(CCC(=O)C1=CC=CC=C1)(CCC(=O)C2=CC=CC=C2)C#N
Structure:
CAS RN: 7404-84-4
CAS Name: 5-nitro-2-octanone
OPENEYE Name: 5-nitrooctan-2-one
IUPAC Name: 5-nitrooctan-2-one
SYSTEMATIC NAME: 5-nitrooctan-2-one
MOLECULAR FORMULA: C8H15NO3
MOLECULAR WEIGHT: 173.2096
SMILES: CCCC(CCC(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 7404-83-3
CAS Name: 5,8-dibromo-5,8-dinitrododecane-2,11-dione
OPENEYE Name: 5,8-dibromo-5,8-dinitro-dodecane-2,11-dione
IUPAC Name: 5,8-dibromo-5,8-dinitrododecane-2,11-dione
SYSTEMATIC NAME: 5,8-bis(bromanyl)-5,8-dinitro-dodecane-2,11-dione
MOLECULAR FORMULA: C12H18Br2N2O6
MOLECULAR WEIGHT: 446.08912
SMILES: CC(=O)CCC(CCC(CCC(=O)C)([N+](=O)[O-])Br)([N+](=O)[O-])Br
Structure:
CAS RN: 7404-82-2
CAS Name: 4-nitro-1,7-diphenylheptane-1,7-dione
OPENEYE Name: 4-nitro-1,7-diphenyl-heptane-1,7-dione
IUPAC Name: 4-nitro-1,7-diphenylheptane-1,7-dione
SYSTEMATIC NAME: 4-nitro-1,7-diphenyl-heptane-1,7-dione
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: C1=CC=C(C=C1)C(=O)CCC(CCC(=O)C2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 7404-81-1
CAS Name: 5,9-dinitrotridecane-2,12-dione
OPENEYE Name: 5,9-dinitrotridecane-2,12-dione
IUPAC Name: 5,9-dinitrotridecane-2,12-dione
SYSTEMATIC NAME: 5,9-dinitrotridecane-2,12-dione
MOLECULAR FORMULA: C13H22N2O6
MOLECULAR WEIGHT: 302.32358
SMILES: CC(=O)CCC(CCCC(CCC(=O)C)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7506-07-2
CAS Name: 4,7-bis(2-cyanoethyl)-4,7-dinitrodecanedinitrile
OPENEYE Name: 4,7-bis(2-cyanoethyl)-4,7-dinitro-decanedinitrile
IUPAC Name: 4,7-bis(2-cyanoethyl)-4,7-dinitrodecanedinitrile
SYSTEMATIC NAME: 4,7-bis(2-cyanoethyl)-4,7-dinitro-decanedinitrile
MOLECULAR FORMULA: C16H20N6O4
MOLECULAR WEIGHT: 360.3678
SMILES: C(CC(CCC#N)(CCC(CCC#N)(CCC#N)[N+](=O)[O-])[N+](=O)[O-])C#N
Structure:
CAS RN: 7404-80-0
CAS Name: 1-[5-[2-(3-acetyl-4-methyl-1-nitro-1-cyclohex-3-enyl)ethyl]-2-methyl-5-nitro-1-cyclohexenyl]ethanone
OPENEYE Name: 1-[5-[2-(3-acetyl-4-methyl-1-nitro-cyclohex-3-en-1-yl)ethyl]-2-methyl-5-nitro-cyclohexen-1-yl]ethanone
IUPAC Name: 1-[5-[2-(3-acetyl-4-methyl-1-nitrocyclohex-3-en-1-yl)ethyl]-2-methyl-5-nitrocyclohexen-1-yl]ethanone
SYSTEMATIC NAME: 1-[5-[2-(3-ethanoyl-4-methyl-1-nitro-cyclohex-3-en-1-yl)ethyl]-2-methyl-5-nitro-cyclohexen-1-yl]ethanone
MOLECULAR FORMULA: C20H28N2O6
MOLECULAR WEIGHT: 392.44612
SMILES: CC1=C(CC(CC1)(CCC2(CCC(=C(C2)C(=O)C)C)[N+](=O)[O-])[N+](=O)[O-])C(=O)C
Structure:
CAS RN: 7404-78-6
CAS Name: 3-nitro-1-phenyl-1-butanone
OPENEYE Name: 3-nitro-1-phenyl-butan-1-one
IUPAC Name: 3-nitro-1-phenylbutan-1-one
SYSTEMATIC NAME: 3-nitro-1-phenyl-butan-1-one
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC(CC(=O)C1=CC=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 7404-77-5
CAS Name: 1-(2-hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethanone
OPENEYE Name: 1-(2-hydroxy-2,5-dimethyl-5-nitro-cyclohexyl)ethanone
IUPAC Name: 1-(2-hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethanone
SYSTEMATIC NAME: 1-(2,5-dimethyl-5-nitro-2-oxidanyl-cyclohexyl)ethanone
MOLECULAR FORMULA: C10H17NO4
MOLECULAR WEIGHT: 215.24628
SMILES: CC(=O)C1CC(CCC1(C)O)(C)[N+](=O)[O-]
Structure:
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