methyl 5-(3,5-dimethylpyrazol-1-yl)-2-nitro-benzoate

Systemtic Name: methyl 5-(3,5-dimethylpyrazol-1-yl)-2-nitro-benzoate Openeye Name: methyl 5-(3,5-dimethylpyrazol-1-yl)-2-nitro-benzoate CAS Name: 5-(3,5-dimethyl-1-pyrazolyl)-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-(3,5-dimethylpyrazol-1-yl)-2-nitrobenzoate Traditional Name: 5-(3,5-dimethylpyrazol-1-yl)-2-nitro-benzoic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC)C

InChI

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