[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H12BrN3O5 MolecularWeight: 418.19828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O5/c1-10(16(22)20-14-5-3-2-4-12(14)9-19)26-17(23)11-6-7-13(18)15(8-11)21(24)25/h2-8,10H,1H3,(H,20,22)