2-chloranyl-N-isoquinolin-1-yl-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-isoquinolin-1-yl-5-nitro-benzamide Openeye Name: 2-chloro-N-(1-isoquinolyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(1-isoquinolinyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-isoquinolin-1-yl-5-nitrobenzamide Traditional Name: 2-chloro-N-(1-isoquinolyl)-5-nitro-benzamide Formula: C16H10ClN3O3 MolecularWeight: 327.7219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN3O3/c17-14-6-5-11(20(22)23)9-13(14)16(21)19-15-12-4-2-1-3-10(12)7-8-18-15/h1-9H,(H,18,19,21)