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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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