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

Systemtic Name: 5-[[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-(4-chloro-3-methylphenoxy)-5-nitroanilino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C19H15ClN4O6 MolecularWeight: 430.7986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O6/c1-10-5-13(3-4-16(10)20)30-14-7-11(6-12(8-14)24(28)29)22-18(25)17-15(19(26)27)9-21-23(17)2/h3-9H,1-2H3,(H,22,25)(H,26,27)