[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H13BrN2O5/c1-10(24-16(21)11-4-2-5-12(17)8-11)15(20)18-13-6-3-7-14(9-13)19(22)23/h2-10H,1H3,(H,18,20)