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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-12-17(22(24)25)13(2)21(19-12)10-16(23)26-11-14-4-6-15(7-5-14)20-9-3-8-18-20/h3-9H,10-11H2,1-2H3