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

Systemtic Name: 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-hydroxy-propionic acid Formula: C10H14N4O6 MolecularWeight: 286.24136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O6/c1-5-9(14(19)20)6(2)13(12-5)3-8(16)11-7(4-15)10(17)18/h7,15H,3-4H2,1-2H3,(H,11,16)(H,17,18)