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

Systemtic Name: 4-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]pyrazol-1-yl]butyrate Formula: C14H17N6O5- MolecularWeight: 349.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CN(N=C2)CCCC(=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CN(N=C2)CCCC(=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O5/c1-9-14(20(24)25)10(2)19(17-9)8-12(21)16-11-6-15-18(7-11)5-3-4-13(22)23/h6-7H,3-5,8H2,1-2H3,(H,16,21)(H,22,23)/p-1