[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]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-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]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-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C15H19N5O5 MolecularWeight: 349.34186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NC(C)(C#N)C2CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5/c1-9-14(20(23)24)10(2)19(18-9)6-13(22)25-7-12(21)17-15(3,8-16)11-4-5-11/h11H,4-7H2,1-3H3,(H,17,21)/t15-/m1/s1