4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]-3-nitro-benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]-3-nitro-benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]-3-nitrobenzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]-3-nitrobenzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]-3-nitro-benzoic acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C23H23N3O6S/c1-2-3-6-21-24-13-18(10-17(23(29)30)11-19-5-4-9-33-19)25(21)14-16-8-7-15(22(27)28)12-20(16)26(31)32/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3,(H,27,28)(H,29,30)/b17-10+