methyl 2-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)\Cl

InChI

InChI=1S/C22H21ClN2O4/c1-3-4-11-29-16-8-5-14(6-9-16)12-18(23)20-24-19-13-15(22(27)28-2)7-10-17(19)21(26)25-20/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25,26)/b18-12-