3-azanyl-2-(3-carboxyphenyl)-4-(4-methoxyphenyl)-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide

Systemtic Name: 3-azanyl-2-(3-carboxyphenyl)-4-(4-methoxyphenyl)-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-2-(3-carboxyphenyl)-N-hydroxy-4-(4-methoxyphenyl)-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-2-(3-carboxyphenyl)-N-hydroxy-4-(4-methoxyphenyl)-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-2-(3-carboxyphenyl)-N-hydroxy-4-(4-methoxyphenyl)-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-2-(3-carboxyphenyl)-N-hydroxy-1-keto-4-(4-methoxyphenyl)isoquinolin-7-amine oxide Formula: C23H19N3O6 MolecularWeight: 433.41346

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)[NH+](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)[NH+](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/h2-12,26,30H,24H2,1H3,(H,28,29)