(E)-3-(3-bromanyl-5-nitro-2-oxidanyl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-nitro-2-oxidanyl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-2-hydroxy-5-nitro-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-2-hydroxy-5-nitrophenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-2-hydroxy-5-nitrophenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-2-hydroxy-5-nitro-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C16H8BrN3O6 MolecularWeight: 418.15522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(=CC2=CC(=CC(=C2O)Br)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)/C(=C/C2=CC(=CC(=C2O)Br)[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H8BrN3O6/c17-14-7-13(20(25)26)6-10(16(14)22)4-11(8-18)15(21)9-2-1-3-12(5-9)19(23)24/h1-7,22H/b11-4+