ethyl 2-[[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-5-nitro-thiophene-3-carboxylate CAS Name: 2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]azo-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])N=NC2=C(C=C(C=C2)N(CCO)CCO)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])N=NC2=C(C=C(C=C2)N(CCO)CCO)C

InChI

InChI=1S/C18H22N4O6S/c1-3-28-18(25)14-11-16(22(26)27)29-17(14)20-19-15-5-4-13(10-12(15)2)21(6-8-23)7-9-24/h4-5,10-11,23-24H,3,6-9H2,1-2H3