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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 4-phthalimidobutyl ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6/c1-12-17(23(27)28)13(2)22(20-12)11-16(24)29-10-6-5-9-21-18(25)14-7-3-4-8-15(14)19(21)26/h3-4,7-8H,5-6,9-11H2,1-2H3