1-[(4-tert-butylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-[(4-tert-butylphenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(4-tert-butylphenyl)methyl]-6-oxo-3-pyridinecarboxylate IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(4-tert-butylbenzyl)-6-keto-nicotinate Formula: C17H18NO3- MolecularWeight: 284.32972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)[O-]

InChI

InChI=1S/C17H19NO3/c1-17(2,3)14-7-4-12(5-8-14)10-18-11-13(16(20)21)6-9-15(18)19/h4-9,11H,10H2,1-3H3,(H,20,21)/p-1