[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3-nitrophenyl)carbonylamino]benzoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3-nitrophenyl)carbonylamino]benzoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 3-[(3-nitrobenzoyl)amino]benzoate CAS Name: 3-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 3-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 3-[(3-nitrobenzoyl)amino]benzoic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O6/c1-15-6-3-11-21(16(15)2)26-22(28)14-33-24(30)18-8-4-9-19(12-18)25-23(29)17-7-5-10-20(13-17)27(31)32/h3-13H,14H2,1-2H3,(H,25,29)(H,26,28)