1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-[(4-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(4-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxylate IUPAC Name: 1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 6-keto-1-(4-nitrobenzyl)nicotinate Formula: C13H9N2O5- MolecularWeight: 273.22096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)[O-])[N+](=O)[O-]

InChI

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