(E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-2-(piperidine-1-carbonyl)acrylonitrile Formula: C15H14BrN3O4 MolecularWeight: 380.19336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C/C2=CC(=CC(=C2O)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C15H14BrN3O4/c16-12-7-10(14(20)13(8-12)19(22)23)6-11(9-17)15(21)18-4-2-1-3-5-18/h6-8,20H,1-5H2/b11-6+