ethyl 5-(3-nitrophenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(3-nitrophenyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(3-nitrophenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-nitrophenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-2-19-12(16)10-7-13-14-11(10)8-4-3-5-9(6-8)15(17)18/h3-7H,2H2,1H3,(H,13,14)