N-(isoquinolin-1-ylmethyl)-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-(isoquinolin-1-ylmethyl)-4-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-(1-isoquinolylmethyl)-4-nitro-benzamide CAS Name: 3-hydroxy-N-(1-isoquinolinylmethyl)-4-nitrobenzamide IUPAC Name: 3-hydroxy-N-(isoquinolin-1-ylmethyl)-4-nitrobenzamide Traditional Name: 3-hydroxy-N-(1-isoquinolylmethyl)-4-nitro-benzamide Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H13N3O4/c21-16-9-12(5-6-15(16)20(23)24)17(22)19-10-14-13-4-2-1-3-11(13)7-8-18-14/h1-9,21H,10H2,(H,19,22)