N-methyl-4-nitro-2-(3-propylheptan-2-yl)aniline

Systemtic Name: N-methyl-4-nitro-2-(3-propylheptan-2-yl)aniline Openeye Name: N-methyl-2-(1-methyl-2-propyl-hexyl)-4-nitro-aniline CAS Name: N-methyl-4-nitro-2-(3-propylheptan-2-yl)aniline IUPAC Name: N-methyl-4-nitro-2-(3-propylheptan-2-yl)aniline Traditional Name: methyl-[2-(1-methyl-2-propyl-hexyl)-4-nitro-phenyl]amine Formula: C17H28N2O2 MolecularWeight: 292.41642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C(C)C1=C(C=CC(=C1)[N+](=O)[O-])NC

Isomeric SMILES

CCCCC(CCC)C(C)C1=C(C=CC(=C1)[N+](=O)[O-])NC

InChI

InChI=1S/C17H28N2O2/c1-5-7-9-14(8-6-2)13(3)16-12-15(19(20)21)10-11-17(16)18-4/h10-14,18H,5-9H2,1-4H3