3-[6-bromanyl-3-(3-nitro-4-oxidanyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propanenitrile

Systemtic Name: 3-[6-bromanyl-3-(3-nitro-4-oxidanyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propanenitrile Openeye Name: 3-[6-bromo-3-(4-hydroxy-3-nitro-phenyl)-4-oxo-quinazolin-2-yl]propanenitrile CAS Name: 3-[6-bromo-3-(4-hydroxy-3-nitrophenyl)-4-oxo-2-quinazolinyl]propanenitrile IUPAC Name: 3-[6-bromo-3-(4-hydroxy-3-nitrophenyl)-4-oxoquinazolin-2-yl]propanenitrile Traditional Name: 3-[6-bromo-3-(4-hydroxy-3-nitro-phenyl)-4-keto-quinazolin-2-yl]propionitrile Formula: C17H11BrN4O4 MolecularWeight: 415.19764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCC#N)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCC#N)[N+](=O)[O-])O

InChI

InChI=1S/C17H11BrN4O4/c18-10-3-5-13-12(8-10)17(24)21(16(20-13)2-1-7-19)11-4-6-15(23)14(9-11)22(25)26/h3-6,8-9,23H,1-2H2