ethyl 5-methanoyl-1-(2-nitrophenyl)carbonyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-methanoyl-1-(2-nitrophenyl)carbonyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-formyl-1-(2-nitrobenzoyl)pyrazole-3-carboxylate CAS Name: 5-formyl-1-[(2-nitrophenyl)-oxomethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-formyl-1-(2-nitrobenzoyl)pyrazole-3-carboxylate Traditional Name: 5-formyl-1-(2-nitrobenzoyl)pyrazole-3-carboxylic acid ethyl ester Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6/c1-2-23-14(20)11-7-9(8-18)16(15-11)13(19)10-5-3-4-6-12(10)17(21)22/h3-8H,2H2,1H3