N-isoquinolin-5-yl-4-methoxy-3-nitro-benzamide

Systemtic Name: N-isoquinolin-5-yl-4-methoxy-3-nitro-benzamide Openeye Name: N-(5-isoquinolyl)-4-methoxy-3-nitro-benzamide CAS Name: N-(5-isoquinolinyl)-4-methoxy-3-nitrobenzamide IUPAC Name: N-isoquinolin-5-yl-4-methoxy-3-nitrobenzamide Traditional Name: N-(5-isoquinolyl)-4-methoxy-3-nitro-benzamide Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4/c1-24-16-6-5-11(9-15(16)20(22)23)17(21)19-14-4-2-3-12-10-18-8-7-13(12)14/h2-10H,1H3,(H,19,21)