2-[5-[4-(methylamino)-3-nitro-phenyl]-4-(2-methylpropyl)imidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[4-(methylamino)-3-nitro-phenyl]-4-(2-methylpropyl)imidazol-1-yl]ethanoic acid Openeye Name: 2-[4-isobutyl-5-[4-(methylamino)-3-nitro-phenyl]imidazol-1-yl]acetic acid CAS Name: 2-[5-[4-(methylamino)-3-nitrophenyl]-4-(2-methylpropyl)-1-imidazolyl]acetic acid IUPAC Name: 2-[5-[4-(methylamino)-3-nitrophenyl]-4-(2-methylpropyl)imidazol-1-yl]acetic acid Traditional Name: 2-[4-isobutyl-5-[4-(methylamino)-3-nitro-phenyl]imidazol-1-yl]acetic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N(C=N1)CC(=O)O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(N(C=N1)CC(=O)O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-10(2)6-13-16(19(9-18-13)8-15(21)22)11-4-5-12(17-3)14(7-11)20(23)24/h4-5,7,9-10,17H,6,8H2,1-3H3,(H,21,22)