2-[(Z)-1-chloranyl-2-(3-ethoxy-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3-ethoxy-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxy-phenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxy-phenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5/c1-3-28-17-9-11(4-7-16(17)27-2)8-14(21)18-22-15-10-12(20(25)26)5-6-13(15)19(24)23-18/h4-10H,3H2,1-2H3,(H,25,26)(H,22,23,24)/b14-8-