4-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitro-aniline

Systemtic Name: 4-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitro-aniline Openeye Name: 4-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitro-aniline CAS Name: 4-ethyl-N-[(2-methyl-3-pyrazolyl)methyl]-3-nitroaniline IUPAC Name: 4-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitroaniline Traditional Name: (4-ethyl-3-nitro-phenyl)-[(2-methylpyrazol-3-yl)methyl]amine Formula: C13H16N4O2 MolecularWeight: 260.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NCC2=CC=NN2C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NCC2=CC=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c1-3-10-4-5-11(8-13(10)17(18)19)14-9-12-6-7-15-16(12)2/h4-8,14H,3,9H2,1-2H3