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

Systemtic Name: 5-[[3-(4-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[3-(4-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-(4-methoxyphenoxy)-5-nitroanilino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[3-(4-methoxyphenoxy)-5-nitrophenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[3-(4-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C19H16N4O7 MolecularWeight: 412.35294

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O7/c1-22-17(16(10-20-22)19(25)26)18(24)21-11-7-12(23(27)28)9-15(8-11)30-14-5-3-13(29-2)4-6-14/h3-10H,1-2H3,(H,21,24)(H,25,26)