(1-oxidanylidene-1-phenyl-propan-2-yl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-chloranyl-4-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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