1-methyl-5-[[3-(2-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[[3-(2-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[[3-(2-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[3-(2-methylphenoxy)-5-nitroanilino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[[3-(2-methylphenoxy)-5-nitrophenyl]carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[[3-(2-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrazole-4-carboxylic acid Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C19H16N4O6/c1-11-5-3-4-6-16(11)29-14-8-12(7-13(9-14)23(27)28)21-18(24)17-15(19(25)26)10-20-22(17)2/h3-10H,1-2H3,(H,21,24)(H,25,26)