3-(3-azanyl-7-nitro-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)benzoic acid

Systemtic Name: 3-(3-azanyl-7-nitro-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)benzoic acid Openeye Name: 3-(3-amino-7-nitro-1-oxo-4-phenyl-2-isoquinolyl)benzoic acid CAS Name: 3-(3-amino-7-nitro-1-oxo-4-phenyl-2-isoquinolinyl)benzoic acid IUPAC Name: 3-(3-amino-7-nitro-1-oxo-4-phenylisoquinolin-2-yl)benzoic acid Traditional Name: 3-(3-amino-1-keto-7-nitro-4-phenyl-2-isoquinolyl)benzoic acid Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C22H15N3O5/c23-20-19(13-5-2-1-3-6-13)17-10-9-16(25(29)30)12-18(17)21(26)24(20)15-8-4-7-14(11-15)22(27)28/h1-12H,23H2,(H,27,28)