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

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-ethyl-3-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-ethyl-3-nitro-aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-ethyl-3-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-ethyl-3-nitroaniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-(4-ethyl-3-nitro-phenyl)amine Formula: C14H18N4O2 MolecularWeight: 274.31832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NCC2=C(NN=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NCC2=C(NN=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2/c1-4-11-5-6-12(7-14(11)18(19)20)15-8-13-9(2)16-17-10(13)3/h5-7,15H,4,8H2,1-3H3,(H,16,17)