[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-(3,4-dimethylbenzoyl)benzoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]benzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(3,4-dimethylbenzoyl)benzoate Traditional Name: 2-(3,4-dimethylbenzoyl)benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C25H22N2O6/c1-15-8-10-18(12-17(15)3)24(29)20-6-4-5-7-21(20)25(30)33-14-23(28)26-22-13-19(27(31)32)11-9-16(22)2/h4-13H,14H2,1-3H3,(H,26,28)