5-[(2-chloranyl-5-nitro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(2-chloranyl-5-nitro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(2-chloro-5-nitro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(2-chloro-5-nitroanilino)-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(2-chloro-5-nitrophenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(2-chloro-5-nitro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H9ClN4O5 MolecularWeight: 324.67666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H9ClN4O5/c1-16-10(7(5-14-16)12(19)20)11(18)15-9-4-6(17(21)22)2-3-8(9)13/h2-5H,1H3,(H,15,18)(H,19,20)