ethyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]butanoate CAS Name: 4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]butyric acid ethyl ester Formula: C13H20N4O5 MolecularWeight: 312.3217

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N4O5/c1-4-22-12(19)6-5-7-14-11(18)8-16-10(3)13(17(20)21)9(2)15-16/h4-8H2,1-3H3,(H,14,18)