[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-anilinobenzoate CAS Name: 2-anilinobenzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-anilinobenzoate Traditional Name: 2-anilinobenzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5/c1-15-11-12-17(13-20(15)25(28)29)24-21(26)14-30-22(27)18-9-5-6-10-19(18)23-16-7-3-2-4-8-16/h2-13,23H,14H2,1H3,(H,24,26)