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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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