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

Systemtic Name: N-isoquinolin-5-yl-3-methyl-4-nitro-benzamide Openeye Name: N-(5-isoquinolyl)-3-methyl-4-nitro-benzamide CAS Name: N-(5-isoquinolinyl)-3-methyl-4-nitrobenzamide IUPAC Name: N-isoquinolin-5-yl-3-methyl-4-nitrobenzamide Traditional Name: N-(5-isoquinolyl)-3-methyl-4-nitro-benzamide Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3/c1-11-9-12(5-6-16(11)20(22)23)17(21)19-15-4-2-3-13-10-18-8-7-14(13)15/h2-10H,1H3,(H,19,21)