3-[3-azanyl-4-(4-methoxyphenyl)-7-nitro-1-oxidanylidene-isoquinolin-2-yl]benzoic acid

Systemtic Name: 3-[3-azanyl-4-(4-methoxyphenyl)-7-nitro-1-oxidanylidene-isoquinolin-2-yl]benzoic acid Openeye Name: 3-[3-amino-4-(4-methoxyphenyl)-7-nitro-1-oxo-2-isoquinolyl]benzoic acid CAS Name: 3-[3-amino-4-(4-methoxyphenyl)-7-nitro-1-oxo-2-isoquinolinyl]benzoic acid IUPAC Name: 3-[3-amino-4-(4-methoxyphenyl)-7-nitro-1-oxoisoquinolin-2-yl]benzoic acid Traditional Name: 3-[3-amino-1-keto-4-(4-methoxyphenyl)-7-nitro-2-isoquinolyl]benzoic acid Formula: C23H17N3O6 MolecularWeight: 431.39758

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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/C23H17N3O6/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/h2-12H,24H2,1H3,(H,28,29)