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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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