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

Systemtic Name: ethyl 5-[[3-(4-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[3-(4-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[3-(4-methoxyphenoxy)-5-nitroanilino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(4-methoxyphenoxy)-5-nitrophenyl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[3-(4-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H20N4O7 MolecularWeight: 440.4061

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O7/c1-4-31-21(27)19-12-18(23-24(19)2)20(26)22-13-9-14(25(28)29)11-17(10-13)32-16-7-5-15(30-3)6-8-16/h5-12H,4H2,1-3H3,(H,22,26)