N-hexan-2-yl-2-methyl-3-nitro-aniline

Systemtic Name: N-hexan-2-yl-2-methyl-3-nitro-aniline Openeye Name: 2-methyl-N-(1-methylpentyl)-3-nitro-aniline CAS Name: N-hexan-2-yl-2-methyl-3-nitroaniline IUPAC Name: N-hexan-2-yl-2-methyl-3-nitroaniline Traditional Name: (2-methyl-3-nitro-phenyl)-(1-methylpentyl)amine Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-4-5-7-10(2)14-12-8-6-9-13(11(12)3)15(16)17/h6,8-10,14H,4-5,7H2,1-3H3