4-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)benzenecarbonitrile Openeye Name: 4-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)benzonitrile CAS Name: 4-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)benzonitrile IUPAC Name: 4-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)benzonitrile Traditional Name: 4-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)benzonitrile Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C17H13N3O3/c1-22-14-7-12-13(8-15(14)23-2)19-16(20-17(12)21)11-5-3-10(9-18)4-6-11/h3-8H,1-2H3,(H,19,20,21)