2-[(1-methoxyisoquinolin-5-yl)amino]-3-nitro-benzoic acid

Systemtic Name: 2-[(1-methoxyisoquinolin-5-yl)amino]-3-nitro-benzoic acid Openeye Name: 2-[(1-methoxy-5-isoquinolyl)amino]-3-nitro-benzoic acid CAS Name: 2-[(1-methoxy-5-isoquinolinyl)amino]-3-nitrobenzoic acid IUPAC Name: 2-[(1-methoxyisoquinolin-5-yl)amino]-3-nitrobenzoic acid Traditional Name: 2-[(1-methoxy-5-isoquinolyl)amino]-3-nitro-benzoic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC2=C1C=CC=C2NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=NC=CC2=C1C=CC=C2NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13N3O5/c1-25-16-11-4-2-6-13(10(11)8-9-18-16)19-15-12(17(21)22)5-3-7-14(15)20(23)24/h2-9,19H,1H3,(H,21,22)