(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H14ClN3O3 MolecularWeight: 391.80716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O3/c22-14-6-9-16-18(11-14)24-19(25-21(16)27)12-28-20(26)10-8-15-7-5-13-3-1-2-4-17(13)23-15/h1-11H,12H2,(H,24,25,27)/b10-8+