2-[(4-chlorophenyl)methyl]-5-nitro-pyrazole-3-carboxylate

Systemtic Name: 2-[(4-chlorophenyl)methyl]-5-nitro-pyrazole-3-carboxylate Openeye Name: 2-[(4-chlorophenyl)methyl]-5-nitro-pyrazole-3-carboxylate CAS Name: 2-[(4-chlorophenyl)methyl]-5-nitro-3-pyrazolecarboxylate IUPAC Name: 2-[(4-chlorophenyl)methyl]-5-nitropyrazole-3-carboxylate Traditional Name: 2-(4-chlorobenzyl)-5-nitro-pyrazole-3-carboxylate Formula: C11H7ClN3O4- MolecularWeight: 280.64398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=CC(=N2)[N+](=O)[O-])C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CC(=N2)[N+](=O)[O-])C(=O)[O-])Cl

InChI

InChI=1S/C11H8ClN3O4/c12-8-3-1-7(2-4-8)6-14-9(11(16)17)5-10(13-14)15(18)19/h1-5H,6H2,(H,16,17)/p-1