(4-phenylphenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (4-phenylphenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-phenylphenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-phenylbenzyl) ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-14-20(23(25)26)15(2)22(21-14)12-19(24)27-13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3