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

Systemtic Name: tert-butyl 4-acetamido-3-(2-azanylimidazol-1-yl)benzoate Openeye Name: tert-butyl 4-acetamido-3-(2-aminoimidazol-1-yl)benzoate CAS Name: 4-acetamido-3-(2-amino-1-imidazolyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetamido-3-(2-aminoimidazol-1-yl)benzoate Traditional Name: 4-acetamido-3-(2-aminoimidazol-1-yl)benzoic acid tert-butyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)N2C=CN=C2N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)N2C=CN=C2N

InChI

InChI=1S/C16H20N4O3/c1-10(21)19-12-6-5-11(14(22)23-16(2,3)4)9-13(12)20-8-7-18-15(20)17/h5-9H,1-4H3,(H2,17,18)(H,19,21)