1-[3-nitro-4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-nitro-4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-nitro-4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazino]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-nitro-4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-nitro-4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-nitro-4-[(N'E)-N'-[(E)-3-phenylprop-2-enylidene]hydrazino]phenyl]sulfonylisonipecotic acid Formula: C21H22N4O6S MolecularWeight: 458.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NN=CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c26-21(27)17-10-13-24(14-11-17)32(30,31)18-8-9-19(20(15-18)25(28)29)23-22-12-4-7-16-5-2-1-3-6-16/h1-9,12,15,17,23H,10-11,13-14H2,(H,26,27)/b7-4+,22-12+