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

Systemtic Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)-methyl-amino]ethanoic acid Openeye Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)-methyl-amino]acetic acid CAS Name: 2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-methylamino]acetic acid IUPAC Name: 2-[(2,5-dimethyl-4-nitropyrazol-3-yl)-methylamino]acetic acid Traditional Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)-methyl-amino]acetic acid Formula: C8H12N4O4 MolecularWeight: 228.20528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])N(C)CC(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])N(C)CC(=O)O)C

InChI

InChI=1S/C8H12N4O4/c1-5-7(12(15)16)8(11(3)9-5)10(2)4-6(13)14/h4H2,1-3H3,(H,13,14)