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

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (1,3-dimethyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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