1,6-bis(azanyl)-5-cyano-4-(4-nitrophenyl)-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1,6-bis(azanyl)-5-cyano-4-(4-nitrophenyl)-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1,6-diamino-5-cyano-4-(4-nitrophenyl)-2-oxo-pyridine-3-carboxylic acid CAS Name: 1,6-diamino-5-cyano-4-(4-nitrophenyl)-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1,6-diamino-5-cyano-4-(4-nitrophenyl)-2-oxopyridine-3-carboxylic acid Traditional Name: 1,6-diamino-5-cyano-2-keto-4-(4-nitrophenyl)nicotinic acid Formula: C13H9N5O5 MolecularWeight: 315.24106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N(C(=C2C#N)N)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N(C(=C2C#N)N)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O5/c14-5-8-9(6-1-3-7(4-2-6)18(22)23)10(13(20)21)12(19)17(16)11(8)15/h1-4H,15-16H2,(H,20,21)