[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C

InChI

InChI=1S/C24H23N3O5/c1-16-7-6-10-21(17(16)2)26-23(28)15-32-24(29)20-13-19(27(30)31)11-12-22(20)25-14-18-8-4-3-5-9-18/h3-13,25H,14-15H2,1-2H3,(H,26,28)