[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-4-oxo-chromen-3-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(4-tert-butylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-4-oxochromen-3-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(4-tert-butylphenyl)-4-keto-chromen-3-yl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C25H21NO4/c1-25(2,3)18-10-8-16(9-11-18)22-23(30-24(28)17-12-14-26-15-13-17)21(27)19-6-4-5-7-20(19)29-22/h4-15H,1-3H3