2-nitro-4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]phenolate

Systemtic Name: 2-nitro-4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]phenolate Openeye Name: 2-nitro-4-[(E)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]prop-1-enyl]phenolate CAS Name: 2-nitro-4-[(E)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]prop-1-enyl]phenolate IUPAC Name: 2-nitro-4-[(E)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]phenolate Traditional Name: 4-[(E)-3-keto-3-(4-piperidinosulfonylphenyl)prop-1-enyl]-2-nitro-phenolate Formula: C20H19N2O6S- MolecularWeight: 415.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c23-19(10-4-15-5-11-20(24)18(14-15)22(25)26)16-6-8-17(9-7-16)29(27,28)21-12-2-1-3-13-21/h4-11,14,24H,1-3,12-13H2/p-1/b10-4+