[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5/c1-10-3-2-4-12(18(21)22)14(10)17-13(19)9-23-15(20)11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,19)