3-[3-azanyl-7-[bis(oxidanyl)amino]-4-(4-methoxyphenyl)-1-oxidanylidene-isoquinolin-2-yl]benzoate

Systemtic Name: 3-[3-azanyl-7-[bis(oxidanyl)amino]-4-(4-methoxyphenyl)-1-oxidanylidene-isoquinolin-2-yl]benzoate Openeye Name: 3-[3-amino-7-(dihydroxyamino)-4-(4-methoxyphenyl)-1-oxo-2-isoquinolyl]benzoate CAS Name: 3-[3-amino-7-(dihydroxyamino)-4-(4-methoxyphenyl)-1-oxo-2-isoquinolinyl]benzoate IUPAC Name: 3-[3-amino-7-(dihydroxyamino)-4-(4-methoxyphenyl)-1-oxoisoquinolin-2-yl]benzoate Traditional Name: 3-[3-amino-7-(dihydroxyamino)-1-keto-4-(4-methoxyphenyl)-2-isoquinolyl]benzoate Formula: C23H18N3O6- MolecularWeight: 432.40552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)N(O)O)C4=CC=CC(=C4)C(=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)N(O)O)C4=CC=CC(=C4)C(=O)[O-])N

InChI

InChI=1S/C23H19N3O6/c1-32-17-8-5-13(6-9-17)20-18-10-7-16(26(30)31)12-19(18)22(27)25(21(20)24)15-4-2-3-14(11-15)23(28)29/h2-12,30-31H,24H2,1H3,(H,28,29)/p-1