[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methyl-benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methyl-benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3-bromo-4-methyl-benzoate CAS Name: 3-bromo-4-methylbenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3-bromo-4-methylbenzoate Traditional Name: 3-bromo-4-methyl-benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C16H12BrNO5 MolecularWeight: 378.17418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrNO5/c1-10-5-6-12(8-14(10)17)16(20)23-9-15(19)11-3-2-4-13(7-11)18(21)22/h2-8H,9H2,1H3