[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C18H20N2O3/c1-18(2,3)14-6-4-5-7-15(14)20-16(21)12-23-17(22)13-8-10-19-11-9-13/h4-11H,12H2,1-3H3,(H,20,21)