1-[(2-methyl-3-nitro-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[(2-methyl-3-nitro-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(2-methyl-3-nitro-phenyl)methyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[(2-methyl-3-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(2-methyl-3-nitrophenyl)methyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 6-keto-1-(2-methyl-3-nitro-benzyl)nicotinic acid Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CN2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CN2C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C14H12N2O5/c1-9-10(3-2-4-12(9)16(20)21)7-15-8-11(14(18)19)5-6-13(15)17/h2-6,8H,7H2,1H3,(H,18,19)