4-bromanyl-2-[(E)-2-cyano-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]-6-nitro-phenolate

Systemtic Name: 4-bromanyl-2-[(E)-2-cyano-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[(E)-2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(E)-2-cyano-3-oxo-3-(1-piperidinyl)prop-1-enyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[(E)-2-cyano-3-keto-3-piperidino-prop-1-enyl]-6-nitro-phenolate Formula: C15H13BrN3O4- MolecularWeight: 379.18542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C/C2=CC(=CC(=C2[O-])[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/p-1/b11-6+