1-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-chloro-2-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-chloro-2-methylphenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-chloro-2-methylphenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(4-chloro-2-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C12H10ClN3O5 MolecularWeight: 311.6779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O5/c1-7-4-8(13)2-3-10(7)21-6-15-5-9(16(19)20)11(14-15)12(17)18/h2-5H,6H2,1H3,(H,17,18)