[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13BrN2O3/c1-11(16(21)20-15-8-6-14(18)7-9-15)23-17(22)13-4-2-12(10-19)3-5-13/h2-9,11H,1H3,(H,20,21)