5-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-(4-chlorophenoxy)-5-nitroanilino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C18H13ClN4O6 MolecularWeight: 416.77202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O6/c1-22-16(15(9-20-22)18(25)26)17(24)21-11-6-12(23(27)28)8-14(7-11)29-13-4-2-10(19)3-5-13/h2-9H,1H3,(H,21,24)(H,25,26)