[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (1,3-dioxoisoindolin-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 (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-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 phthalimidomethyl ester Formula: C16H14N4O6 MolecularWeight: 358.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCN2C(=O)C3=CC=CC=C3C2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCN2C(=O)C3=CC=CC=C3C2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6/c1-9-14(20(24)25)10(2)19(17-9)7-13(21)26-8-18-15(22)11-5-3-4-6-12(11)16(18)23/h3-6H,7-8H2,1-2H3