(1,3-dimethylpyrazol-4-yl)methyl 3-nitrobenzoate

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl 3-nitrobenzoate Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (1,3-dimethyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (1,3-dimethylpyrazol-4-yl)methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

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