[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O5/c1-7(15)10(4-14)11(19)6-23-12(20)5-17-9(3)13(18(21)22)8(2)16-17/h10,15H,5-6H2,1-3H3/t10-/m1/s1