[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3,6-dichloropyridine-2-carboxylate CAS Name: 3,6-dichloro-2-pyridinecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3,6-dichloropyridine-2-carboxylate Traditional Name: 3,6-dichloropicolinic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C21H15Cl2N3O5 MolecularWeight: 460.2669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC(=N3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC(=N3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15Cl2N3O5/c1-12-7-9-15(16(11-12)26(29)30)24-20(27)19(13-5-3-2-4-6-13)31-21(28)18-14(22)8-10-17(23)25-18/h2-11,19H,1H3,(H,24,27)