tert-butyl 3-(3-aminocarbonyl-5-ethyl-4-nitro-pyrazol-1-yl)azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-aminocarbonyl-5-ethyl-4-nitro-pyrazol-1-yl)azetidine-1-carboxylate Openeye Name: tert-butyl 3-(3-carbamoyl-5-ethyl-4-nitro-pyrazol-1-yl)azetidine-1-carboxylate CAS Name: 3-(3-carbamoyl-5-ethyl-4-nitro-1-pyrazolyl)-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-carbamoyl-5-ethyl-4-nitropyrazol-1-yl)azetidine-1-carboxylate Traditional Name: 3-(3-carbamoyl-5-ethyl-4-nitro-pyrazol-1-yl)azetidine-1-carboxylic acid tert-butyl ester Formula: C14H21N5O5 MolecularWeight: 339.34704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2CN(C2)C(=O)OC(C)(C)C)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NN1C2CN(C2)C(=O)OC(C)(C)C)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H21N5O5/c1-5-9-11(19(22)23)10(12(15)20)16-18(9)8-6-17(7-8)13(21)24-14(2,3)4/h8H,5-7H2,1-4H3,(H2,15,20)