[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-methylphenyl)-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(3-chloro-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)acrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl

InChI

InChI=1S/C21H16ClN3O3/c1-14-6-7-15(12-17(14)22)8-9-20(26)28-13-19-24-18-5-3-2-4-16(18)21(27)25(19)11-10-23/h2-9,12H,11,13H2,1H3/b9-8+