[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridine-3-carboxylate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridine-3-carboxylate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] 2-aminopyridine-3-carboxylate CAS Name: 2-amino-3-pyridinecarboxylic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate Traditional Name: 2-aminonicotinic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-18(2,3)13-8-4-5-9-14(13)21-15(22)11-24-17(23)12-7-6-10-20-16(12)19/h4-10H,11H2,1-3H3,(H2,19,20)(H,21,22)