[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N4O4/c1-25-18(24-17-5-3-2-4-16(17)21(25)28)10-11-20(27)29-13-19(26)23-15-8-6-14(12-22)7-9-15/h2-9H,10-11,13H2,1H3,(H,23,26)