(Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]-2-(2-thienyl)prop-2-enoic acid CAS Name: (Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]-4-imidazolyl]-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (Z)-3-[2-butyl-3-(2-nitrobenzyl)imidazol-4-yl]-2-(2-thienyl)acrylic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2[N+](=O)[O-])C=C(C3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2[N+](=O)[O-])/C=C(\C3=CC=CS3)/C(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-2-3-10-20-22-13-16(12-17(21(25)26)19-9-6-11-29-19)23(20)14-15-7-4-5-8-18(15)24(27)28/h4-9,11-13H,2-3,10,14H2,1H3,(H,25,26)/b17-12+