1,3-benzodioxol-5-yl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6/c1-12-19(23(25)26)13(2)22(21-12)10-14-3-5-15(6-4-14)20(24)29-16-7-8-17-18(9-16)28-11-27-17/h3-9H,10-11H2,1-2H3