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

Systemtic Name: (4-nitrophenyl)methyl 4-chloranyl-1-methyl-pyrazole-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-chloro-1-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-methyl-3-pyrazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-chloro-1-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-methyl-pyrazole-3-carboxylic acid (4-nitrobenzyl) ester Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H10ClN3O4/c1-15-6-10(13)11(14-15)12(17)20-7-8-2-4-9(5-3-8)16(18)19/h2-6H,7H2,1H3