ethyl 4-[[2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxy-phenyl]diazenyl]-3-cyano-5-nitro-benzoate

Systemtic Name: ethyl 4-[[2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxy-phenyl]diazenyl]-3-cyano-5-nitro-benzoate Openeye Name: ethyl 4-[2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxy-phenyl]azo-3-cyano-5-nitro-benzoate CAS Name: 4-[2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxyphenyl]azo-3-cyano-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxyphenyl]diazenyl]-3-cyano-5-nitrobenzoate Traditional Name: 4-[2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxy-phenyl]azo-3-cyano-5-nitro-benzoic acid ethyl ester Formula: C24H28N6O8 MolecularWeight: 528.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2C#N)C(=O)OCC)[N+](=O)[O-])NC(=O)C)N(CCO)CCO

Isomeric SMILES

CCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2C#N)C(=O)OCC)[N+](=O)[O-])NC(=O)C)N(CCO)CCO

InChI

InChI=1S/C24H28N6O8/c1-4-37-22-13-19(18(26-15(3)33)12-20(22)29(6-8-31)7-9-32)27-28-23-17(14-25)10-16(24(34)38-5-2)11-21(23)30(35)36/h10-13,31-32H,4-9H2,1-3H3,(H,26,33)