(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H16N4O8 MolecularWeight: 392.32024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O8/c1-9-15(20(24)25)10(2)18(17-9)5-14(21)27-7-12-4-13(19(22)23)3-11-6-26-8-28-16(11)12/h3-4H,5-8H2,1-2H3