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

Systemtic Name: ethyl 2-methyl-5-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-[(2-hydroxy-5-nitro-phenyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[(2-hydroxy-5-nitroanilino)-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-hydroxy-5-nitrophenyl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(2-hydroxy-5-nitro-phenyl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O6/c1-3-24-14(21)11-7-10(16-17(11)2)13(20)15-9-6-8(18(22)23)4-5-12(9)19/h4-7,19H,3H2,1-2H3,(H,15,20)