[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H12ClNO5/c1-10(15(19)11-5-4-6-12(17)9-11)23-16(20)13-7-2-3-8-14(13)18(21)22/h2-10H,1H3