[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO5/c1-10-2-4-11(5-3-10)15(19)9-23-16(20)13-7-6-12(18(21)22)8-14(13)17/h2-8H,9H2,1H3