methyl 3-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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