(1,3-dimethylpyrazol-4-yl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (1,3-dimethyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (1,3-dimethylpyrazol-4-yl)methyl ester Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O4/c1-8-9(6-16(2)15-8)7-21-13(18)11-5-10(17(19)20)3-4-12(11)14/h3-6H,7H2,1-2H3