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

Systemtic Name: tert-butyl 3-(2-azanylimidazol-1-yl)-4-nitro-benzoate Openeye Name: tert-butyl 3-(2-aminoimidazol-1-yl)-4-nitro-benzoate CAS Name: 3-(2-amino-1-imidazolyl)-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-aminoimidazol-1-yl)-4-nitrobenzoate Traditional Name: 3-(2-aminoimidazol-1-yl)-4-nitro-benzoic acid tert-butyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2C=CN=C2N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2C=CN=C2N

InChI

InChI=1S/C14H16N4O4/c1-14(2,3)22-12(19)9-4-5-10(18(20)21)11(8-9)17-7-6-16-13(17)15/h4-8H,1-3H3,(H2,15,16)