6-nitro-4-oxidanylidene-N-[(E)-pyridin-3-ylmethylideneamino]-1H-quinazoline-2-carboxamide

Systemtic Name: 6-nitro-4-oxidanylidene-N-[(E)-pyridin-3-ylmethylideneamino]-1H-quinazoline-2-carboxamide Openeye Name: 6-nitro-4-oxo-N-[(E)-3-pyridylmethyleneamino]-1H-quinazoline-2-carboxamide CAS Name: 6-nitro-4-oxo-N-[(E)-3-pyridinylmethylideneamino]-1H-quinazoline-2-carboxamide IUPAC Name: 6-nitro-4-oxo-N-[(E)-pyridin-3-ylmethylideneamino]-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-6-nitro-N-[(E)-3-pyridylmethyleneamino]-1H-quinazoline-2-carboxamide Formula: C15H10N6O4 MolecularWeight: 338.2777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=NNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)/C=N/NC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O4/c22-14-11-6-10(21(24)25)3-4-12(11)18-13(19-14)15(23)20-17-8-9-2-1-5-16-7-9/h1-8H,(H,20,23)(H,18,19,22)/b17-8+