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

Systemtic Name: 2-[(Z)-1-chloranyl-2-[4-(cyanomethoxy)-3-methoxy-phenyl]ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-[4-(cyanomethoxy)-3-methoxy-phenyl]vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-[4-(cyanomethoxy)-3-methoxy-phenyl]vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C20H14ClN3O5 MolecularWeight: 411.79526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)\Cl)OCC#N

InChI

InChI=1S/C20H14ClN3O5/c1-28-17-9-11(2-5-16(17)29-7-6-22)8-14(21)18-23-15-10-12(20(26)27)3-4-13(15)19(25)24-18/h2-5,8-10H,7H2,1H3,(H,26,27)(H,23,24,25)/b14-8-