[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C23H16ClN3O8 MolecularWeight: 497.84144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O8/c1-13-19(26(31)32)9-15(10-20(13)27(33)34)23(30)35-12-21(28)25-18-8-7-16(24)11-17(18)22(29)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,25,28)