[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H13Cl2N3O5 MolecularWeight: 398.19752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)C

InChI

InChI=1S/C16H13Cl2N3O5/c1-8-5-9(2)19-15(18)14(8)16(23)26-7-13(22)20-12-4-3-10(21(24)25)6-11(12)17/h3-6H,7H2,1-2H3,(H,20,22)