ethyl 2-[5-(2-methylpropyl)-3-(4-nitrophenyl)imidazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-methylpropyl)-3-(4-nitrophenyl)imidazol-4-yl]ethanoate Openeye Name: ethyl 2-[5-isobutyl-3-(4-nitrophenyl)imidazol-4-yl]acetate CAS Name: 2-[5-(2-methylpropyl)-3-(4-nitrophenyl)-4-imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-methylpropyl)-3-(4-nitrophenyl)imidazol-4-yl]acetate Traditional Name: 2-[5-isobutyl-3-(4-nitrophenyl)imidazol-4-yl]acetic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=CN1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C

Isomeric SMILES

CCOC(=O)CC1=C(N=CN1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C

InChI

InChI=1S/C17H21N3O4/c1-4-24-17(21)10-16-15(9-12(2)3)18-11-19(16)13-5-7-14(8-6-13)20(22)23/h5-8,11-12H,4,9-10H2,1-3H3