ethyl (2E)-2-cyano-2-[4-(2-methoxy-2-oxidanylidene-ethyl)-3-phenyl-1,4-dihydroquinazolin-2-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-cyano-2-[4-(2-methoxy-2-oxidanylidene-ethyl)-3-phenyl-1,4-dihydroquinazolin-2-ylidene]ethanoate Openeye Name: ethyl (2E)-2-cyano-2-[4-(2-methoxy-2-oxo-ethyl)-3-phenyl-1,4-dihydroquinazolin-2-ylidene]acetate CAS Name: (2E)-2-cyano-2-[4-(2-methoxy-2-oxoethyl)-3-phenyl-1,4-dihydroquinazolin-2-ylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-cyano-2-[4-(2-methoxy-2-oxoethyl)-3-phenyl-1,4-dihydroquinazolin-2-ylidene]acetate Traditional Name: (2E)-2-cyano-2-[4-(2-keto-2-methoxy-ethyl)-3-phenyl-1,4-dihydroquinazolin-2-ylidene]acetic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NC2=CC=CC=C2C(N1C3=CC=CC=C3)CC(=O)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/1\NC2=CC=CC=C2C(N1C3=CC=CC=C3)CC(=O)OC)/C#N

InChI

InChI=1S/C22H21N3O4/c1-3-29-22(27)17(14-23)21-24-18-12-8-7-11-16(18)19(13-20(26)28-2)25(21)15-9-5-4-6-10-15/h4-12,19,24H,3,13H2,1-2H3/b21-17+