[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N)OC

InChI

InChI=1S/C17H17BrN2O5/c1-23-14-6-4-11(8-15(14)24-2)20-16(21)9-25-17(22)12-7-10(18)3-5-13(12)19/h3-8H,9,19H2,1-2H3,(H,20,21)