[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C23H20N4O7 MolecularWeight: 464.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H20N4O7/c1-32-20-12-18(19(27(30)31)13-21(20)33-2)23(29)34-14-22(28)24-15-8-10-17(11-9-15)26-25-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,24,28)