ethyl 5-methanoyl-1-[(2-nitrophenyl)methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-methanoyl-1-[(2-nitrophenyl)methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-formyl-1-[(2-nitrophenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-formyl-1-[(2-nitrophenyl)methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-formyl-1-[(2-nitrophenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-formyl-1-(2-nitrobenzyl)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)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-2-22-14(19)12-7-11(9-18)16(15-12)8-10-5-3-4-6-13(10)17(20)21/h3-7,9H,2,8H2,1H3