(4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OCC2=NC(=O)C3=CC=CC=C3N2)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)Cl)OC

InChI

InChI=1S/C21H19ClN2O5/c1-3-28-17-11-13(10-15(22)20(17)27-2)8-9-19(25)29-12-18-23-16-7-5-4-6-14(16)21(26)24-18/h4-11H,3,12H2,1-2H3,(H,23,24,26)/b9-8+