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

Systemtic Name: cyanomethyl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: cyanomethyl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid cyanomethyl ester Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC#N)C)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4/c1-10-14(19(21)22)11(2)18(17-10)9-12-3-5-13(6-4-12)15(20)23-8-7-16/h3-6H,8-9H2,1-2H3