3,5-dimethyl-1-[(4-nitrophenyl)methyl]pyrazole-4-carbaldehyde

Systemtic Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]pyrazole-4-carbaldehyde Openeye Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]pyrazole-4-carbaldehyde CAS Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-4-pyrazolecarboxaldehyde IUPAC Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]pyrazole-4-carbaldehyde Traditional Name: 3,5-dimethyl-1-(4-nitrobenzyl)pyrazole-4-carbaldehyde Formula: C13H13N3O3 MolecularWeight: 259.26062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)[N+](=O)[O-])C)C=O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)[N+](=O)[O-])C)C=O

InChI

InChI=1S/C13H13N3O3/c1-9-13(8-17)10(2)15(14-9)7-11-3-5-12(6-4-11)16(18)19/h3-6,8H,7H2,1-2H3