1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(3-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[(3-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 6-keto-1-(3-nitrobenzyl)nicotinic acid Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C13H10N2O5/c16-12-5-4-10(13(17)18)8-14(12)7-9-2-1-3-11(6-9)15(19)20/h1-6,8H,7H2,(H,17,18)