[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)carbonylamino]benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)carbonylamino]benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-[(3-nitrobenzoyl)amino]benzoate CAS Name: 4-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 4-[(3-nitrobenzoyl)amino]benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O6/c1-15-6-7-16(2)21(12-15)22(27)14-32-24(29)17-8-10-19(11-9-17)25-23(28)18-4-3-5-20(13-18)26(30)31/h3-13H,14H2,1-2H3,(H,25,28)