[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-phenoxybenzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-phenoxybenzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-phenoxybenzoate CAS Name: 2-phenoxybenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-phenoxybenzoate Traditional Name: 2-phenoxybenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO6/c1-15-11-12-16(13-19(15)23(26)27)20(24)14-28-22(25)18-9-5-6-10-21(18)29-17-7-3-2-4-8-17/h2-13H,14H2,1H3