(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2-chloro-5-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2-chloro-5-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2-chloro-5-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(2-chloro-5-nitro-phenyl)acrylonitrile Formula: C17H8BrClN4O3 MolecularWeight: 431.62742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H8BrClN4O3/c18-11-1-4-15-13(7-11)17(24)22-16(21-15)10(8-20)5-9-6-12(23(25)26)2-3-14(9)19/h1-7H,(H,21,22,24)/b10-5+