[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5/c1-10-2-3-12(8-13(10)17(20)21)14(18)9-22-15(19)11-4-6-16-7-5-11/h2-8H,9H2,1H3