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

Systemtic Name: 4-chloranyl-N-isoquinolin-5-yl-3-nitro-benzamide Openeye Name: 4-chloro-N-(5-isoquinolyl)-3-nitro-benzamide CAS Name: 4-chloro-N-(5-isoquinolinyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-isoquinolin-5-yl-3-nitrobenzamide Traditional Name: 4-chloro-N-(5-isoquinolyl)-3-nitro-benzamide Formula: C16H10ClN3O3 MolecularWeight: 327.7219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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