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

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-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)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3O2/c1-24-16-7-6-11(9-14(16)19)8-12(10-20)17-21-15-5-3-2-4-13(15)18(23)22-17/h2-9H,1H3,(H,21,22,23)/b12-8+