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

Systemtic Name: 5-[[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-(3,5-dimethylphenoxy)-5-nitroanilino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[3-(3,5-dimethylphenoxy)-5-nitrophenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)C(=O)O)C

InChI

InChI=1S/C20H18N4O6/c1-11-4-12(2)6-15(5-11)30-16-8-13(7-14(9-16)24(28)29)22-19(25)18-17(20(26)27)10-21-23(18)3/h4-10H,1-3H3,(H,22,25)(H,26,27)