N-hexyl-4-methyl-2,6-dinitro-aniline

Systemtic Name: N-hexyl-4-methyl-2,6-dinitro-aniline Openeye Name: N-hexyl-4-methyl-2,6-dinitro-aniline CAS Name: N-hexyl-4-methyl-2,6-dinitroaniline IUPAC Name: N-hexyl-4-methyl-2,6-dinitroaniline Traditional Name: hexyl-(4-methyl-2,6-dinitro-phenyl)amine Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-3-4-5-6-7-14-13-11(15(17)18)8-10(2)9-12(13)16(19)20/h8-9,14H,3-7H2,1-2H3