[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C16H12BrNO5 MolecularWeight: 378.17418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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