[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl] ester Formula: C13H20N4O5 MolecularWeight: 312.3217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C)NC(=O)COC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N4O5/c1-5-8(2)14-11(18)7-22-12(19)6-16-10(4)13(17(20)21)9(3)15-16/h8H,5-7H2,1-4H3,(H,14,18)/t8-/m1/s1