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

Systemtic Name: ethyl 2-[[2-acetamido-4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-acetamido-4-[bis(2-hydroxyethyl)amino]phenyl]azo-5-nitro-thiophene-3-carboxylate CAS Name: 2-[2-acetamido-4-[bis(2-hydroxyethyl)amino]phenyl]azo-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-acetamido-4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[2-acetamido-4-[bis(2-hydroxyethyl)amino]phenyl]azo-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C19H23N5O7S MolecularWeight: 465.48022

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O7S/c1-3-31-19(28)14-11-17(24(29)30)32-18(14)22-21-15-5-4-13(10-16(15)20-12(2)27)23(6-8-25)7-9-26/h4-5,10-11,25-26H,3,6-9H2,1-2H3,(H,20,27)