CAS RN: 1655-56-7
CAS Name: 2-(2,4-dinitroanilino)-3-methylpentanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)-3-methyl-pentanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)-3-methylpentanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]-3-methyl-pentanoic acid
MOLECULAR FORMULA: C12H15N3O6
MOLECULAR WEIGHT: 297.264
SMILES: CCC(C)C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 13054-03-0
CAS Name: 2-[[2-[[[1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid
IUPAC Name: 2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C11H18N4O5
MOLECULAR WEIGHT: 286.28442
SMILES: C1CC(N(C1)C(=O)CN)C(=O)NCC(=O)NCC(=O)O
Structure:
CAS RN: 1694-97-9
CAS Name: 2-(2,4-dinitroanilino)-3-methylbutanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)-3-methyl-butanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C11H13N3O6
MOLECULAR WEIGHT: 283.23742
SMILES: CC(C)C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1602-41-1
CAS Name: 5-amino-2-(2,4-dinitroanilino)-5-oxopentanoic acid
OPENEYE Name: 5-amino-2-(2,4-dinitroanilino)-5-oxo-pentanoic acid
IUPAC Name: 5-amino-2-(2,4-dinitroanilino)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-azanyl-2-[(2,4-dinitrophenyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C11H12N4O7
MOLECULAR WEIGHT: 312.23558
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCC(=O)N)C(=O)O
Structure:
CAS RN: 2014-31-5
CAS Name: 1-(2,4-dinitrophenyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H11N3O6
MOLECULAR WEIGHT: 281.22154
SMILES: C1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 1655-55-6
CAS Name: 1-(2,4-dinitrophenyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H11N3O6
MOLECULAR WEIGHT: 281.22154
SMILES: C1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 10200-25-6
CAS Name: 1-(2,4-dinitrophenyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H11N3O6
MOLECULAR WEIGHT: 281.22154
SMILES: C1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 2576-67-2
CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]acetic acid
OPENEYE Name: 2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]acetic acid
IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C10H19N3O4
MOLECULAR WEIGHT: 245.27556
SMILES: CC(C)CC(C(=O)NCC(=O)O)NC(=O)CN
Structure:
CAS RN: 311793-05-2
CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]acetic acid
OPENEYE Name: 2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]acetic acid
IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C10H19N3O4
MOLECULAR WEIGHT: 245.27556
SMILES: CC(C)CC(C(=O)NCC(=O)O)NC(=O)CN
Structure:
CAS RN: 7683-81-0
CAS Name: 2-(2,4-dinitroanilino)butanedioic acid
OPENEYE Name: 2-(2,4-dinitroanilino)butanedioic acid
IUPAC Name: 2-(2,4-dinitroanilino)butanedioic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]butanedioic acid
MOLECULAR FORMULA: C10H9N3O8
MOLECULAR WEIGHT: 299.19376
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CC(=O)O)C(=O)O
Structure:
CAS RN: 3303-34-2
CAS Name: 2-[(2-amino-1-oxopropyl)amino]-4-methylpentanoic acid
OPENEYE Name: 2-(2-aminopropanoylamino)-4-methyl-pentanoic acid
IUPAC Name: 2-(2-aminopropanoylamino)-4-methylpentanoic acid
SYSTEMATIC NAME: 2-(2-azanylpropanoylamino)-4-methyl-pentanoic acid
MOLECULAR FORMULA: C9H18N2O3
MOLECULAR WEIGHT: 202.25082
SMILES: CC(C)CC(C(=O)O)NC(=O)C(C)N
Structure:
CAS RN: 67113-60-4
CAS Name: 2-[(2-amino-1-oxopropyl)amino]-4-methylpentanoic acid
OPENEYE Name: 2-(2-aminopropanoylamino)-4-methyl-pentanoic acid
IUPAC Name: 2-(2-aminopropanoylamino)-4-methylpentanoic acid
SYSTEMATIC NAME: 2-(2-azanylpropanoylamino)-4-methyl-pentanoic acid
MOLECULAR FORMULA: C9H18N2O3
MOLECULAR WEIGHT: 202.25082
SMILES: CC(C)CC(C(=O)O)NC(=O)C(C)N
Structure:
CAS RN: 1638-60-4
CAS Name: 2-[(2-amino-1-oxopropyl)amino]-4-methylpentanoic acid
OPENEYE Name: 2-(2-aminopropanoylamino)-4-methyl-pentanoic acid
IUPAC Name: 2-(2-aminopropanoylamino)-4-methylpentanoic acid
SYSTEMATIC NAME: 2-(2-azanylpropanoylamino)-4-methyl-pentanoic acid
MOLECULAR FORMULA: C9H18N2O3
MOLECULAR WEIGHT: 202.25082
SMILES: CC(C)CC(C(=O)O)NC(=O)C(C)N
Structure:
CAS RN: 1655-64-7
CAS Name: 2-(2,4-dinitroanilino)-3-hydroxypropanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)-3-hydroxy-propanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)-3-hydroxypropanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C9H9N3O7
MOLECULAR WEIGHT: 271.18366
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(=O)O
Structure:
CAS RN: 1655-52-3
CAS Name: 2-(2,4-dinitroanilino)propanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)propanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)propanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]propanoic acid
MOLECULAR FORMULA: C9H9N3O6
MOLECULAR WEIGHT: 255.18426
SMILES: CC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 24587-32-4
CAS Name: 1-(2-amino-1-oxoethyl)-4-hydroxy-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2-aminoacetyl)-4-hydroxy-pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-azanylethanoyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C7H12N2O4
MOLECULAR WEIGHT: 188.18118
SMILES: C1C(CN(C1C(=O)O)C(=O)CN)O
Structure:
CAS RN: 471-95-4
CAS Name: acetic acid [3,14-dihydroxy-10,13-dimethyl-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-3,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C26H36O6
MOLECULAR WEIGHT: 444.56044
SMILES: CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C)O)O
Structure:
CAS RN: 465-90-7
CAS Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13R,14S,17R)-13-methyl-3,5,14-tris(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
Structure:
CAS RN: 17042-39-6
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(4-nitrophenoxy)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C20H23NO12
MOLECULAR WEIGHT: 469.39612
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 2872-66-4
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(4-nitrophenoxy)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C20H23NO12
MOLECULAR WEIGHT: 469.39612
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 66521-34-4
CAS Name: N,N-dimethyl-2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetamide
OPENEYE Name: 2-(5-benzyloxy-1H-indol-3-yl)-N,N-dimethyl-2-oxo-acetamide
IUPAC Name: N,N-dimethyl-2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetamide
SYSTEMATIC NAME: N,N-dimethyl-2-oxidanylidene-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamide
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CN(C)C(=O)C(=O)C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
Structure:
CAS RN: 73568-26-0
CAS Name: 1-[(phenylthio)methyl]-2-naphthalenol
OPENEYE Name: 1-(phenylsulfanylmethyl)naphthalen-2-ol
IUPAC Name: 1-(phenylsulfanylmethyl)naphthalen-2-ol
SYSTEMATIC NAME: 1-(phenylsulfanylmethyl)naphthalen-2-ol
MOLECULAR FORMULA: C17H14OS
MOLECULAR WEIGHT: 266.35746
SMILES: C1=CC=C(C=C1)SCC2=C(C=CC3=CC=CC=C32)O
Structure:
CAS RN: 23469-28-5
CAS Name: [4-(2-chlorophenyl)-1-piperazinyl]-phenylmethanone
OPENEYE Name: [4-(2-chlorophenyl)piperazin-1-yl]-phenyl-methanone
IUPAC Name: [4-(2-chlorophenyl)piperazin-1-yl]-phenylmethanone
SYSTEMATIC NAME: [4-(2-chlorophenyl)piperazin-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C17H17ClN2O
MOLECULAR WEIGHT: 300.78268
SMILES: C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 6642-44-0
CAS Name: 1-(3-nitrophenyl)sulfonyl-4-phenylpiperazine
OPENEYE Name: 1-(3-nitrophenyl)sulfonyl-4-phenyl-piperazine
IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-phenylpiperazine
SYSTEMATIC NAME: 1-(3-nitrophenyl)sulfonyl-4-phenyl-piperazine
MOLECULAR FORMULA: C16H17N3O4S
MOLECULAR WEIGHT: 347.38888
SMILES: C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]
Structure:
CAS RN: 5321-09-5
CAS Name: 1-(2-methylphenoxy)-3-(1-pyrrolidinyl)-2-propanol
OPENEYE Name: 1-(2-methylphenoxy)-3-pyrrolidin-1-yl-propan-2-ol
IUPAC Name: 1-(2-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-(2-methylphenoxy)-3-pyrrolidin-1-yl-propan-2-ol
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CC1=CC=CC=C1OCC(CN2CCCC2)O
Structure:
CAS RN: 32599-04-5
CAS Name: 1-phenoxy-3-(1-piperidinyl)-2-propanol
OPENEYE Name: 1-phenoxy-3-(1-piperidyl)propan-2-ol
IUPAC Name: 1-phenoxy-3-piperidin-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-phenoxy-3-piperidin-1-yl-propan-2-ol
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: C1CCN(CC1)CC(COC2=CC=CC=C2)O
Structure:
CAS RN: 6342-37-6
CAS Name: 1-(4-chlorophenoxy)-3-(1-piperidinyl)-2-propanol
OPENEYE Name: 1-(4-chlorophenoxy)-3-(1-piperidyl)propan-2-ol
IUPAC Name: 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-(4-chloranylphenoxy)-3-piperidin-1-yl-propan-2-ol
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: C1CCN(CC1)CC(COC2=CC=C(C=C2)Cl)O
Structure:
CAS RN: 6636-26-6
CAS Name: 1,3-bis(2-methoxyethyl)-1-nitrosourea
OPENEYE Name: 1,3-bis(2-methoxyethyl)-1-nitroso-urea
IUPAC Name: 1,3-bis(2-methoxyethyl)-1-nitrosourea
SYSTEMATIC NAME: 1,3-bis(2-methoxyethyl)-1-nitroso-urea
MOLECULAR FORMULA: C7H15N3O4
MOLECULAR WEIGHT: 205.2117
SMILES: COCCNC(=O)N(CCOC)N=O
Structure:
CAS RN: 94226-15-0
CAS Name: 1-[(phenylthio)methyl]-2-naphthalenamine
OPENEYE Name: 1-(phenylsulfanylmethyl)naphthalen-2-amine
IUPAC Name: 1-(phenylsulfanylmethyl)naphthalen-2-amine
SYSTEMATIC NAME: 1-(phenylsulfanylmethyl)naphthalen-2-amine
MOLECULAR FORMULA: C17H15NS
MOLECULAR WEIGHT: 265.3727
SMILES: C1=CC=C(C=C1)SCC2=C(C=CC3=CC=CC=C32)N
Structure:
CAS RN: 1712-69-2
CAS Name: 1-methoxy-4-(1-methylethenyl)benzene
OPENEYE Name: 1-isopropenyl-4-methoxy-benzene
IUPAC Name: 1-methoxy-4-prop-1-en-2-ylbenzene
SYSTEMATIC NAME: 1-methoxy-4-prop-1-en-2-yl-benzene
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC(=C)C1=CC=C(C=C1)OC
Structure:
CAS RN: 6341-80-6
CAS Name: bis(4-methylphenyl)methanone hydrazone
OPENEYE Name: bis-p-tolylmethanone hydrazone
IUPAC Name: bis(4-methylphenyl)methylidenehydrazine
SYSTEMATIC NAME: bis(4-methylphenyl)methylidenediazane
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CC1=CC=C(C=C1)C(=NN)C2=CC=C(C=C2)C
Structure:
CAS RN: 23126-68-3
CAS Name: bis(4-methoxyphenyl)methanone hydrazone
OPENEYE Name: bis(4-methoxyphenyl)methanone hydrazone
IUPAC Name: bis(4-methoxyphenyl)methylidenehydrazine
SYSTEMATIC NAME: bis(4-methoxyphenyl)methylidenediazane
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: COC1=CC=C(C=C1)C(=NN)C2=CC=C(C=C2)OC
Structure:
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