N-hexan-2-yl-2-methoxy-4-nitro-aniline

Systemtic Name: N-hexan-2-yl-2-methoxy-4-nitro-aniline Openeye Name: 2-methoxy-N-(1-methylpentyl)-4-nitro-aniline CAS Name: N-hexan-2-yl-2-methoxy-4-nitroaniline IUPAC Name: N-hexan-2-yl-2-methoxy-4-nitroaniline Traditional Name: (2-methoxy-4-nitro-phenyl)-(1-methylpentyl)amine Formula: C13H20N2O3 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-4-5-6-10(2)14-12-8-7-11(15(16)17)9-13(12)18-3/h7-10,14H,4-6H2,1-3H3