1-[(4-chloranyl-3-ethyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])Cl

InChI

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