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

Systemtic Name: ethyl 5-ethanoyl-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-acetyl-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 5-acetyl-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 5-acetyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-3-22-14(19)12-8-13(9(2)18)16(15-12)10-4-6-11(7-5-10)17(20)21/h4-8H,3H2,1-2H3