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

Systemtic Name: 2-methoxyethyl 4-[[2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxy-phenyl]diazenyl]-3-cyano-5-nitro-benzoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C25H30N6O9 MolecularWeight: 558.5405

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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)OCCOC)[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)OCCOC)[N+](=O)[O-])NC(=O)C)N(CCO)CCO

InChI

InChI=1S/C25H30N6O9/c1-4-39-23-14-20(19(27-16(2)34)13-21(23)30(5-7-32)6-8-33)28-29-24-18(15-26)11-17(12-22(24)31(36)37)25(35)40-10-9-38-3/h11-14,32-33H,4-10H2,1-3H3,(H,27,34)