ethyl 1-[(4-nitrophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[(4-nitrophenyl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[(4-nitrophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(4-nitrophenyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-nitrophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-nitrobenzyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-2-20-13(17)11-7-14-15(9-11)8-10-3-5-12(6-4-10)16(18)19/h3-7,9H,2,8H2,1H3