ethyl 5-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[3-(4-chlorophenoxy)-5-nitroanilino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O6/c1-3-30-20(27)18-11-17(23-24(18)2)19(26)22-13-8-14(25(28)29)10-16(9-13)31-15-6-4-12(21)5-7-15/h4-11H,3H2,1-2H3,(H,22,26)