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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-nitro-aniline CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-nitroaniline Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-(2-nitrophenyl)amine Formula: C18H18N4O2 MolecularWeight: 322.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2/c1-13-16(12-19-17-10-6-7-11-18(17)22(23)24)14(2)21(20-13)15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3