[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 2,6-dichloropyridine-4-carboxylate CAS Name: 2,6-dichloro-4-pyridinecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate Traditional Name: 2,6-dichloroisonicotinic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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