(1-cyanoindolizin-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CN3C=CC=CC3=C2C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CN3C=CC=CC3=C2C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4/c1-11-17(22(24)25)12(2)21(19-11)9-16(23)26-10-13-8-20-6-4-3-5-15(20)14(13)7-18/h3-6,8H,9-10H2,1-2H3