4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-methyl-amino]butyric acid Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O5/c1-8-12(16(20)21)9(2)15(13-8)7-10(17)14(3)6-4-5-11(18)19/h4-7H2,1-3H3,(H,18,19)