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

Systemtic Name: (4-nitrophenyl)methyl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: (4-nitrophenyl)methyl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid (4-nitrobenzyl) ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-13-19(24(28)29)14(2)22(21-13)11-15-3-7-17(8-4-15)20(25)30-12-16-5-9-18(10-6-16)23(26)27/h3-10H,11-12H2,1-2H3