1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C13H12ClN3O5 MolecularWeight: 325.70448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN3O5/c1-7-3-9(4-8(2)11(7)14)22-6-16-5-10(17(20)21)12(15-16)13(18)19/h3-5H,6H2,1-2H3,(H,18,19)