[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O7/c1-29-18-11-12-20(24(27)28)19(13-18)23-21(25)14-30-22(26)15-7-9-17(10-8-15)31-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25)