2-[(Z)-1-chloranyl-2-(4-methoxy-3-propoxy-phenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-methoxy-3-propoxy-phenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxy-phenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxy-phenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C21H18ClN2O5- MolecularWeight: 413.83102

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])Cl)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])\Cl)OC

InChI

InChI=1S/C21H19ClN2O5/c1-3-8-29-18-10-12(4-7-17(18)28-2)9-15(22)19-23-16-11-13(21(26)27)5-6-14(16)20(25)24-19/h4-7,9-11H,3,8H2,1-2H3,(H,26,27)(H,23,24,25)/p-1/b15-9-