methyl 2-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H19ClN2O7 MolecularWeight: 458.84846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)Cl)OC

InChI

InChI=1S/C22H19ClN2O7/c1-29-17-9-12(8-15(23)20(17)30-2)4-7-19(26)32-11-18-24-16-10-13(22(28)31-3)5-6-14(16)21(27)25-18/h4-10H,11H2,1-3H3,(H,24,25,27)/b7-4+