[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H15ClN4O4 MolecularWeight: 410.8105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H15ClN4O4/c1-12(19(27)24-14-7-6-13(9-22)16(21)8-14)29-18(26)10-25-11-23-17-5-3-2-4-15(17)20(25)28/h2-8,11-12H,10H2,1H3,(H,24,27)/t12-/m1/s1