methyl 4-[(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)-2-cyano-vinyl]benzoic acid methyl ester Formula: C19H12ClN3O3 MolecularWeight: 365.76988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C19H12ClN3O3/c1-26-19(25)12-4-2-11(3-5-12)8-13(10-21)17-22-16-9-14(20)6-7-15(16)18(24)23-17/h2-9H,1H3,(H,22,23,24)/b13-8+