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

Systemtic Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-[[(1S)-1-cyclopropylethyl]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-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-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-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C14H20N4O5 MolecularWeight: 324.3324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5/c1-8(11-4-5-11)15-12(19)7-23-13(20)6-17-10(3)14(18(21)22)9(2)16-17/h8,11H,4-7H2,1-3H3,(H,15,19)/t8-/m0/s1