[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 2,6-dichloropyridine-4-carboxylate CAS Name: 2,6-dichloro-4-pyridinecarboxylic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate Traditional Name: 2,6-dichloroisonicotinic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=NC(=C2)Cl)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=NC(=C2)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O3/c1-10(2)13-6-4-5-11(3)17(13)22-16(23)9-25-18(24)12-7-14(19)21-15(20)8-12/h4-8,10H,9H2,1-3H3,(H,22,23)