CAS RN: 185376-54-9
CAS Name: 2-amino-4-methyl-5-nitrobenzene-1,3-diol
OPENEYE Name: 2-amino-4-methyl-5-nitro-benzene-1,3-diol
IUPAC Name: 2-amino-4-methyl-5-nitrobenzene-1,3-diol
SYSTEMATIC NAME: 2-azanyl-4-methyl-5-nitro-benzene-1,3-diol
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: CC1=C(C(=C(C=C1[N+](=O)[O-])O)N)O
Structure:
CAS RN: 146659-78-1
CAS Name: zinc 1-[(3R,4S,5R)-5-[[[(2R,3R,4R)-2-amino-5-carbamoyloxy-3,4-dihydroxy-1-oxopentyl]amino]-carboxylatomethyl]-3,4-dihydroxy-2-oxolanyl]-2,4-dioxo-5-pyrimidinecarboxylate
OPENEYE Name: zinc 1-[(3R,4S,5R)-5-[[[(2R,3R,4R)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-carboxylato-methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carboxylate
IUPAC Name: zinc 1-[(3R,4S,5R)-5-[[[(2R,3R,4R)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-carboxylatomethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate
SYSTEMATIC NAME: zinc 1-[(3R,4S,5R)-5-[1-[[(2R,3R,4R)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-oxidanidyl-2-oxidanylidene-ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H21N5O14Zn
MOLECULAR WEIGHT: 584.78274
SMILES: C1=C(C(=O)NC(=O)N1C2[C@@H]([C@@H]([C@H](O2)C(C(=O)[O-])NC(=O)[C@@H]([C@H]([C@@H](COC(=O)N)O)O)N)O)O)C(=O)[O-].[Zn+2]
Structure:
CAS RN: 82457-22-5
CAS Name: carbonic acid 2-[5-acetamido-2-methoxy-N-[2-[2-methylpropoxy(oxo)methoxy]ethyl]-4-[(5-nitro-2-thiazolyl)azo]anilino]ethyl 2-methylpropyl ester
OPENEYE Name: 2-[5-acetamido-N-(2-isobutoxycarbonyloxyethyl)-2-methoxy-4-(5-nitrothiazol-2-yl)azo-anilino]ethyl isobutyl carbonate
IUPAC Name: 2-[5-acetamido-2-methoxy-N-[2-(2-methylpropoxycarbonyloxy)ethyl]-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethyl 2-methylpropyl carbonate
SYSTEMATIC NAME: 2-[[5-acetamido-2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]-[2-(2-methylpropoxycarbonyloxy)ethyl]amino]ethyl 2-methylpropyl carbonate
MOLECULAR FORMULA: C26H36N6O10S
MOLECULAR WEIGHT: 624.66324
SMILES: CC(C)COC(=O)OCCN(CCOC(=O)OCC(C)C)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=NC=C(S2)[N+](=O)[O-])OC
Structure:
CAS RN: 73747-10-1
CAS Name: 4-[formyl(hydroxy)amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[formyl(hydroxy)amino]benzoate
IUPAC Name: ethyl 4-[formyl(hydroxy)amino]benzoate
SYSTEMATIC NAME: ethyl 4-[methanoyl(oxidanyl)amino]benzoate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CCOC(=O)C1=CC=C(C=C1)N(C=O)O
Structure:
CAS RN: 73077-95-9
CAS Name: nitrous acid 1,3-benzodioxol-5-yl ester
OPENEYE Name: 1,3-benzodioxol-5-yl nitrite
IUPAC Name: 1,3-benzodioxol-5-yl nitrite
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl nitrite
MOLECULAR FORMULA: C7H5NO4
MOLECULAR WEIGHT: 167.1189
SMILES: C1OC2=C(O1)C=C(C=C2)ON=O
Structure:
CAS RN: 1332-76-9
CAS Name: ammonium hexachloroplatinum(2-)
OPENEYE Name: ammonium hexachloroplatinum(2-)
IUPAC Name: azanium hexachloroplatinum(2-)
SYSTEMATIC NAME: azanium hexakis(chloranyl)platinum(2-)
MOLECULAR FORMULA: Cl6H4NPt-
MOLECULAR WEIGHT: 425.83446
SMILES: [NH4+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl
Structure:
CAS RN: 549-66-6
CAS Name: pentanoic acid [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methyl] ester
OPENEYE Name: [(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methyl] pentanoate
IUPAC Name: [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] pentanoate
SYSTEMATIC NAME: [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] pentanoate
MOLECULAR FORMULA: C25H32N2O3
MOLECULAR WEIGHT: 408.53318
SMILES: CCCCC(=O)O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC
Structure:
CAS RN: 502764-70-7
CAS Name: sodium 5-chloro-2-(2,4-dichlorophenoxy)phenol fluoride
OPENEYE Name: sodium 5-chloro-2-(2,4-dichlorophenoxy)phenol fluoride
IUPAC Name: sodium 5-chloro-2-(2,4-dichlorophenoxy)phenol fluoride
SYSTEMATIC NAME: sodium 2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenol fluoride
MOLECULAR FORMULA: C12H7Cl3FNaO2
MOLECULAR WEIGHT: 331.529953
SMILES: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl.[F-].[Na+]
Structure:
CAS RN: 78666-15-6
CAS Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[[(2S,3R,4S,5R)-4-[[(3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol; 4-amino-N-[
OPENEYE Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]tetrahydrop
IUPAC Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol; 4-amino-N-[1-[[
SYSTEMATIC NAME: (2R,3S,4R,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[(3R,4R,5S,6S)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-4,6-bis(azanyl)-3-oxidanyl-cyclohexyl]oxy-5-azanyl-oxane-3,4-diol;
MOLECULAR FORMULA: C93H161FN22O39S2
MOLECULAR WEIGHT: 2294.525843
SMILES: C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4([C@@]3([C@@H](C[C@@]2([C@@]1(C(=O)CO)O)C)O)F)C.CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CCN)NC=O)CCO)CCN)CCN.C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C
Structure:
CAS RN: 9008-12-2
CAS Name: cobalt(2+); cobalt-60(3+); dichlorocobalt; [(2R,3S,4R,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2S)-1-[[1-oxo-3-[(2R,3R,5Z,7S,10Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopro
OPENEYE Name: cobaltous; cobalt-60(3+); dichlorocobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1S)-1-methyl-2-[3-[(2R,3R,5Z,7S,10Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-ami
IUPAC Name: cobalt(2+); cobalt-60(3+); dichlorocobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(2R,3R,5Z,7S,10Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,
SYSTEMATIC NAME: bis(chloranyl)cobalt; cobalt(2+); cobalt-60(3+); [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2S)-1-[3-[(2R,3R,5Z,7S,10Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-a
MOLECULAR FORMULA: C126H177Cl2Co3N28O28P2+2
MOLECULAR WEIGHT: 2842.578124
SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](/C(=C/C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/N7)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.
Structure:
CAS RN: 8057-37-2
CAS Name: 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanam
OPENEYE Name: 4-amino-N-[1-[[3-amino-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-3-hydroxy-propyl]-2-formamido-butanamide; (3S,7S)-7-[[[(1S,6S,7
IUPAC Name: 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanamide; (3S
SYSTEMATIC NAME: 4-azanyl-N-[1-[[4-azanyl-1-oxidanylidene-1-[[6,9,18-tris(2-azanylethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-oxidanyl-1-oxid
MOLECULAR FORMULA: C87H151N25O23S2Zn
MOLECULAR WEIGHT: 2044.82254
SMILES: CC[C@@H](C)[C@@H](C(=O)CCC(=O)[C@H]([C@H](C)CC)NCN[C@@H](CC1=CN=CN1)C(=O)CC(=O)[C@H](CC(=O)N)NCC)NCCC(=O)C2CSC(=N2)C(C(C)CC)N.CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CCN)NC=O)CCO)C
Structure:
CAS RN: 52218-57-2
CAS Name: 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanam
OPENEYE Name: 4-amino-N-[1-[[3-amino-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-3-hydroxy-propyl]-2-formamido-butanamide; (3S,7S)-7-[[[(1S,6S,7
IUPAC Name: 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanamide; (3S
SYSTEMATIC NAME: 4-azanyl-N-[1-[[4-azanyl-1-oxidanylidene-1-[[6,9,18-tris(2-azanylethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-oxidanyl-1-oxid
MOLECULAR FORMULA: C87H151N25O23S2Zn
MOLECULAR WEIGHT: 2044.82254
SMILES: CC[C@@H](C)[C@@H](C(=O)CCC(=O)[C@H]([C@H](C)CC)NCN[C@@H](CC1=CN=CN1)C(=O)CC(=O)[C@H](CC(=O)N)NCC)NCCC(=O)C2CSC(=N2)C(C(C)CC)N.CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CCN)NC=O)CCO)C
Structure:
CAS RN: 69136-74-9
CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
OPENEYE Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
SYSTEMATIC NAME: (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoic acid; 6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
MOLECULAR FORMULA: C17H21ClN4O8S2
MOLECULAR WEIGHT: 508.95364
SMILES: C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
Structure:
CAS RN: 250603-12-4
CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine; hydrochloride
OPENEYE Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride
IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride
SYSTEMATIC NAME: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride
MOLECULAR FORMULA: C34H39ClF3N5OS
MOLECULAR WEIGHT: 658.21957
SMILES: CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
Structure:
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