(E)-3-(3-bromophenyl)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromophenyl)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromophenyl)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromophenyl)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromophenyl)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromophenyl)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C17H9BrClN3O MolecularWeight: 386.62986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9BrClN3O/c18-12-3-1-2-10(7-12)6-11(9-20)16-21-15-8-13(19)4-5-14(15)17(23)22-16/h1-8H,(H,21,22,23)/b11-6+