3-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]benzoic acid Openeye Name: 3-[(5-nitro-2-oxo-1-pyridyl)methyl]benzoic acid CAS Name: 3-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzoic acid IUPAC Name: 3-[(5-nitro-2-oxopyridin-1-yl)methyl]benzoic acid Traditional Name: 3-[(2-keto-5-nitro-1-pyridyl)methyl]benzoic acid Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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