2-[(Z)-1-chloranyl-2-(4-prop-2-enoxyphenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-prop-2-enoxyphenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-2-(4-allyloxyphenyl)-1-chloro-vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-(4-prop-2-enoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-(4-prop-2-enoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-2-(4-allyloxyphenyl)-1-chloro-vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C20H15ClN2O4 MolecularWeight: 382.7971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)\Cl

InChI

InChI=1S/C20H15ClN2O4/c1-2-9-27-14-6-3-12(4-7-14)10-16(21)18-22-17-11-13(20(25)26)5-8-15(17)19(24)23-18/h2-8,10-11H,1,9H2,(H,25,26)(H,22,23,24)/b16-10-