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

Systemtic Name: 2-[11-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-11-oxidanylidene-undecyl]sulfanylethanoic acid Openeye Name: 2-[11-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]-11-oxo-undecyl]sulfanylacetic acid CAS Name: 2-[[11-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-11-oxoundecyl]thio]acetic acid IUPAC Name: 2-[11-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-11-oxoundecyl]sulfanylacetic acid Traditional Name: 2-[[11-keto-11-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]undecyl]thio]acetic acid Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c24-19(22-21-15-17-10-9-11-18(14-17)23(27)28)12-7-5-3-1-2-4-6-8-13-29-16-20(25)26/h9-11,14-15H,1-8,12-13,16H2,(H,22,24)(H,25,26)/b21-15+