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

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(4-nitrophenyl)acrylonitrile Formula: C17H9BrN4O3 MolecularWeight: 397.18236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H9BrN4O3/c18-12-3-6-15-14(8-12)17(23)21-16(20-15)11(9-19)7-10-1-4-13(5-2-10)22(24)25/h1-8H,(H,20,21,23)/b11-7+