N-hexyl-3-methyl-2,6-dinitro-4-prop-2-enyl-aniline

Systemtic Name: N-hexyl-3-methyl-2,6-dinitro-4-prop-2-enyl-aniline Openeye Name: 4-allyl-N-hexyl-3-methyl-2,6-dinitro-aniline CAS Name: N-hexyl-3-methyl-2,6-dinitro-4-prop-2-enylaniline IUPAC Name: N-hexyl-3-methyl-2,6-dinitro-4-prop-2-enylaniline Traditional Name: (4-allyl-3-methyl-2,6-dinitro-phenyl)-hexyl-amine Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-4-6-7-8-10-17-15-14(18(20)21)11-13(9-5-2)12(3)16(15)19(22)23/h5,11,17H,2,4,6-10H2,1,3H3