1-(3-nitrophenyl)-4-oxidanylidene-pyridine-2,6-dicarboxylic acid

Systemtic Name: 1-(3-nitrophenyl)-4-oxidanylidene-pyridine-2,6-dicarboxylic acid Openeye Name: 1-(3-nitrophenyl)-4-oxo-pyridine-2,6-dicarboxylic acid CAS Name: 1-(3-nitrophenyl)-4-oxopyridine-2,6-dicarboxylic acid IUPAC Name: 1-(3-nitrophenyl)-4-oxopyridine-2,6-dicarboxylic acid Traditional Name: 4-keto-1-(3-nitrophenyl)dipicolinic acid Formula: C13H8N2O7 MolecularWeight: 304.21182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=CC(=O)C=C2C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=CC(=O)C=C2C(=O)O)C(=O)O

InChI

InChI=1S/C13H8N2O7/c16-9-5-10(12(17)18)14(11(6-9)13(19)20)7-2-1-3-8(4-7)15(21)22/h1-6H,(H,17,18)(H,19,20)