[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C19H13ClN4O4 MolecularWeight: 396.78392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C19H13ClN4O4/c20-13-6-5-12(8-21)16(7-13)23-17(25)10-28-18(26)9-24-11-22-15-4-2-1-3-14(15)19(24)27/h1-7,11H,9-10H2,(H,23,25)