(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(6-chloro-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C18H11BrClN3O2 MolecularWeight: 416.65584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Cl)Br

InChI

InChI=1S/C18H11BrClN3O2/c1-25-16-5-2-10(7-14(16)19)6-11(9-21)17-22-15-4-3-12(20)8-13(15)18(24)23-17/h2-8H,1H3,(H,22,23,24)/b11-6+