N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2,4-dinitro-aniline

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2,4-dinitro-aniline Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2,4-dinitro-aniline CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-2,4-dinitroaniline IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,4-dinitroaniline Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-(2,4-dinitrophenyl)-methyl-amine Formula: C19H19N5O4 MolecularWeight: 381.38526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4/c1-13-17(14(2)22(20-13)15-7-5-4-6-8-15)12-21(3)18-10-9-16(23(25)26)11-19(18)24(27)28/h4-11H,12H2,1-3H3