2-[[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]methyl]-3-ethoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]methyl]-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]methyl]-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-[[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]-4-imidazolyl]methyl]-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-[[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]methyl]-3-ethoxy-3-oxopropanoic acid Traditional Name: 2-[[2-butyl-5-chloro-3-(4-nitrobenzyl)imidazol-4-yl]methyl]-3-ethoxy-3-keto-propionic acid Formula: C20H24ClN3O6 MolecularWeight: 437.87406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC(C(=O)O)C(=O)OCC)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC(C(=O)O)C(=O)OCC)Cl

InChI

InChI=1S/C20H24ClN3O6/c1-3-5-6-17-22-18(21)16(11-15(19(25)26)20(27)30-4-2)23(17)12-13-7-9-14(10-8-13)24(28)29/h7-10,15H,3-6,11-12H2,1-2H3,(H,25,26)