(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18BrN3O5 MolecularWeight: 448.26732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

InChI

InChI=1S/C19H18BrN3O5/c1-3-8-27-17-14(20)9-12(10-16(17)26-2)19(25)28-11-23-18(24)13-6-4-5-7-15(13)21-22-23/h4-7,9-10H,3,8,11H2,1-2H3