(E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2-(4-methylpiperidin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2-(4-methylpiperidin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-[(4-methyl-1-piperidinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-2-(4-methylpiperidine-1-carbonyl)acrylonitrile Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Br)C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)/C(=C/C2=CC(=CC(=C2O)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C16H16BrN3O4/c1-10-2-4-19(5-3-10)16(22)12(9-18)6-11-7-13(17)8-14(15(11)21)20(23)24/h6-8,10,21H,2-5H2,1H3/b12-6+