2-[(Z)-1-chloranyl-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)\Cl

InChI

InChI=1S/C20H17ClN2O6/c1-27-15-7-10(8-16(28-2)17(15)29-3)6-13(21)18-22-14-9-11(20(25)26)4-5-12(14)19(24)23-18/h4-9H,1-3H3,(H,25,26)(H,22,23,24)/b13-6-