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

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-propoxyphenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(4-propoxyphenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(4-propoxyphenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C20H16ClN2O4- MolecularWeight: 383.80504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4/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/h3-8,10-11H,2,9H2,1H3,(H,25,26)(H,22,23,24)/p-1/b16-10-