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

Systemtic Name: phenyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: phenyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid phenyl ester IUPAC Name: phenyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid phenyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-9-13(16(18)19)10(2)15(14-9)8-12(17)20-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3