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

Systemtic Name: ethyl 2-[[2-acetamido-4-[bis(3-methoxy-3-oxidanylidene-propyl)amino]phenyl]diazenyl]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-acetamido-4-[bis(3-methoxy-3-oxo-propyl)amino]phenyl]azo-5-nitro-thiophene-3-carboxylate CAS Name: 2-[2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]diazenyl]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[2-acetamido-4-[bis(3-keto-3-methoxy-propyl)amino]phenyl]azo-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C23H27N5O9S MolecularWeight: 549.55358

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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(CCC(=O)OC)CCC(=O)OC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O9S/c1-5-37-23(32)16-13-19(28(33)34)38-22(16)26-25-17-7-6-15(12-18(17)24-14(2)29)27(10-8-20(30)35-3)11-9-21(31)36-4/h6-7,12-13H,5,8-11H2,1-4H3,(H,24,29)