[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)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)COC(=O)C2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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