3-[11-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-11-oxidanylidene-undecyl]sulfanylpropanoic acid

Systemtic Name: 3-[11-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-11-oxidanylidene-undecyl]sulfanylpropanoic acid Openeye Name: 3-[11-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]-11-oxo-undecyl]sulfanylpropanoic acid CAS Name: 3-[[11-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-11-oxoundecyl]thio]propanoic acid IUPAC Name: 3-[11-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-11-oxoundecyl]sulfanylpropanoic acid Traditional Name: 3-[[11-keto-11-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]undecyl]thio]propionic acid Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CCCCCCCCCCSCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CCCCCCCCCCSCCC(=O)O

InChI

InChI=1S/C21H31N3O5S/c25-20(23-22-17-18-10-9-11-19(16-18)24(28)29)12-7-5-3-1-2-4-6-8-14-30-15-13-21(26)27/h9-11,16-17H,1-8,12-15H2,(H,23,25)(H,26,27)/b22-17+