(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H13ClN4O4 MolecularWeight: 396.78392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)NC(=O)CC#N

InChI

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