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

Systemtic Name: methyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C14H22N4O5 MolecularWeight: 326.34828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C14H22N4O5/c1-6-8(2)12(14(20)23-5)15-11(19)7-17-10(4)13(18(21)22)9(3)16-17/h8,12H,6-7H2,1-5H3,(H,15,19)