(4E)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinylidene]-4-thiophen-2-yl-butanoic acid

Systemtic Name: (4E)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinylidene]-4-thiophen-2-yl-butanoic acid Openeye Name: (4E)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazono]-4-(2-thienyl)butanoic acid CAS Name: (4E)-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid IUPAC Name: (4E)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]-4-thiophen-2-ylbutanoic acid Traditional Name: (4E)-4-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazono]-4-(2-thienyl)butyric acid Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=C(CCC(=O)O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N/N=C(\CCC(=O)O)/C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S2/c23-18(24)8-7-15(17-4-3-11-29-17)20-19-14-6-5-13(12-16(14)22(25)26)30(27,28)21-9-1-2-10-21/h3-6,11-12,19H,1-2,7-10H2,(H,23,24)/b20-15+