[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(benzotriazol-1-yl)propanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(benzotriazol-1-yl)propanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-(benzotriazol-1-yl)propanoate CAS Name: 3-(1-benzotriazolyl)propanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate Traditional Name: 3-(benzotriazol-1-yl)propionic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C18H16BrN3O4 MolecularWeight: 418.24134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C3=CC=CC=C3N=N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C3=CC=CC=C3N=N2)Br

InChI

InChI=1S/C18H16BrN3O4/c1-25-17-7-6-12(10-13(17)19)16(23)11-26-18(24)8-9-22-15-5-3-2-4-14(15)20-21-22/h2-7,10H,8-9,11H2,1H3