N-heptan-2-yl-4-methyl-2-nitro-aniline

Systemtic Name: N-heptan-2-yl-4-methyl-2-nitro-aniline Openeye Name: 4-methyl-N-(1-methylhexyl)-2-nitro-aniline CAS Name: N-heptan-2-yl-4-methyl-2-nitroaniline IUPAC Name: N-heptan-2-yl-4-methyl-2-nitroaniline Traditional Name: 1-methylhexyl-(4-methyl-2-nitro-phenyl)amine Formula: C14H22N2O2 MolecularWeight: 250.33668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C(C=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NC1=C(C=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C14H22N2O2/c1-4-5-6-7-12(3)15-13-9-8-11(2)10-14(13)16(17)18/h8-10,12,15H,4-7H2,1-3H3