[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C16H12BrN3O3 MolecularWeight: 374.18878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C16H12BrN3O3/c17-11-3-6-14(19)13(7-11)16(22)23-9-15(21)20-12-4-1-10(8-18)2-5-12/h1-7H,9,19H2,(H,20,21)