[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-(8-methyl-4-oxo-quinazolin-3-yl)acetate CAS Name: 2-(8-methyl-4-oxo-3-quinazolinyl)acetic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-keto-8-methyl-quinazolin-3-yl)acetic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN4O4 MolecularWeight: 424.83708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)OC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)OC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H17ClN4O4/c1-12-4-3-5-16-19(12)24-11-26(21(16)29)10-18(27)30-13(2)20(28)25-15-7-6-14(9-23)17(22)8-15/h3-8,11,13H,10H2,1-2H3,(H,25,28)