3-(5-bromanyl-2-methoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-(5-bromo-2-methoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C18H12BrN3O2 MolecularWeight: 382.21078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H12BrN3O2/c1-24-16-7-6-13(19)9-11(16)8-12(10-20)17-21-15-5-3-2-4-14(15)18(23)22-17/h2-9H,1H3,(H,21,22,23)