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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-10(2)7-14-16(19(9-18-14)24-11(3)21)12-5-6-13(17-4)15(8-12)20(22)23/h5-6,8-10,17H,7H2,1-4H3