6-nitro-4-oxidanylidene-N-(phenylmethyl)-1H-cinnoline-3-carboxamide

Systemtic Name: 6-nitro-4-oxidanylidene-N-(phenylmethyl)-1H-cinnoline-3-carboxamide Openeye Name: N-benzyl-6-nitro-4-oxo-1H-cinnoline-3-carboxamide CAS Name: 6-nitro-4-oxo-N-(phenylmethyl)-1H-cinnoline-3-carboxamide IUPAC Name: N-benzyl-6-nitro-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-benzyl-4-keto-6-nitro-1H-cinnoline-3-carboxamide Formula: C16H12N4O4 MolecularWeight: 324.29088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=NNC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=NNC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4/c21-15-12-8-11(20(23)24)6-7-13(12)18-19-14(15)16(22)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22)(H,18,21)