[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] pyridine-3-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] pyridine-3-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl] ester Formula: C25H20ClNO4 MolecularWeight: 433.8836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H20ClNO4/c1-25(2,3)17-8-6-15(7-9-17)22-23(31-24(29)16-5-4-12-27-14-16)21(28)19-13-18(26)10-11-20(19)30-22/h4-14H,1-3H3