2-(4-methyl-3-nitro-phenyl)carbonylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-methyl-3-nitro-phenyl)carbonylpyridine-3-carboxylic acid Openeye Name: 2-(4-methyl-3-nitro-benzoyl)pyridine-3-carboxylic acid CAS Name: 2-[(4-methyl-3-nitrophenyl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methyl-3-nitrobenzoyl)pyridine-3-carboxylic acid Traditional Name: 2-(4-methyl-3-nitro-benzoyl)nicotinic acid Formula: C14H10N2O5 MolecularWeight: 286.2396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5/c1-8-4-5-9(7-11(8)16(20)21)13(17)12-10(14(18)19)3-2-6-15-12/h2-7H,1H3,(H,18,19)