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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O4/c1-7-12(17(19)20)8(2)16(15-7)9-4-5-11(14)10(6-9)13(18)21-3/h4-6H,1-3H3