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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C17H14BrN3O3/c18-12-3-6-15(20)14(9-12)17(23)24-10-16(22)21-13-4-1-11(2-5-13)7-8-19/h1-6,9H,7,10,20H2,(H,21,22)