tert-butyl 3-(2-ethylimidazol-1-yl)-4-nitro-benzoate

Systemtic Name: tert-butyl 3-(2-ethylimidazol-1-yl)-4-nitro-benzoate Openeye Name: tert-butyl 3-(2-ethylimidazol-1-yl)-4-nitro-benzoate CAS Name: 3-(2-ethyl-1-imidazolyl)-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-ethylimidazol-1-yl)-4-nitrobenzoate Traditional Name: 3-(2-ethylimidazol-1-yl)-4-nitro-benzoic acid tert-butyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1C2=C(C=CC(=C2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC=CN1C2=C(C=CC(=C2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-5-14-17-8-9-18(14)13-10-11(6-7-12(13)19(21)22)15(20)23-16(2,3)4/h6-10H,5H2,1-4H3