(2,5-dimethylpyrazol-3-yl) 5-methyl-2-nitro-benzoate

Systemtic Name: (2,5-dimethylpyrazol-3-yl) 5-methyl-2-nitro-benzoate Openeye Name: (2,5-dimethylpyrazol-3-yl) 5-methyl-2-nitro-benzoate CAS Name: 5-methyl-2-nitrobenzoic acid (2,5-dimethyl-3-pyrazolyl) ester IUPAC Name: (2,5-dimethylpyrazol-3-yl) 5-methyl-2-nitrobenzoate Traditional Name: 5-methyl-2-nitro-benzoic acid (2,5-dimethylpyrazol-3-yl) ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC(=NN2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC(=NN2C)C

InChI

InChI=1S/C13H13N3O4/c1-8-4-5-11(16(18)19)10(6-8)13(17)20-12-7-9(2)14-15(12)3/h4-7H,1-3H3