(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3,4-dichlorophenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3,4-dichlorophenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(3,4-dichlorophenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(3,4-dichlorophenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(3,4-dichlorophenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(3,4-dichlorophenyl)acrylonitrile Formula: C17H8BrCl2N3O MolecularWeight: 421.07492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H8BrCl2N3O/c18-11-2-4-15-12(7-11)17(24)23-16(22-15)10(8-21)5-9-1-3-13(19)14(20)6-9/h1-7H,(H,22,23,24)/b10-5+