1-[(3-nitrophenyl)methylamino]-4-oxidanylidene-cinnoline-3-carboxamide

Systemtic Name: 1-[(3-nitrophenyl)methylamino]-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: 1-[(3-nitrophenyl)methylamino]-4-oxo-cinnoline-3-carboxamide CAS Name: 1-[(3-nitrophenyl)methylamino]-4-oxo-3-cinnolinecarboxamide IUPAC Name: 1-[(3-nitrophenyl)methylamino]-4-oxocinnoline-3-carboxamide Traditional Name: 4-keto-1-[(3-nitrobenzyl)amino]cinnoline-3-carboxamide Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=NN2NCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=NN2NCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H13N5O4/c17-16(23)14-15(22)12-6-1-2-7-13(12)20(19-14)18-9-10-4-3-5-11(8-10)21(24)25/h1-8,18H,9H2,(H2,17,23)