N-ethylethanamine; N-ethyl-4-methyl-2,6-dinitro-aniline

Systemtic Name: N-ethylethanamine; N-ethyl-4-methyl-2,6-dinitro-aniline Openeye Name: N-ethylethanamine; N-ethyl-4-methyl-2,6-dinitro-aniline CAS Name: N-ethylethanamine; N-ethyl-4-methyl-2,6-dinitroaniline IUPAC Name: N-ethylethanamine; N-ethyl-4-methyl-2,6-dinitroaniline Traditional Name: diethylamine; ethyl-(4-methyl-2,6-dinitro-phenyl)amine Formula: C13H22N4O4 MolecularWeight: 298.33818

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCNC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCNCC.CCNC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O4.C4H11N/c1-3-10-9-7(11(13)14)4-6(2)5-8(9)12(15)16;1-3-5-4-2/h4-5,10H,3H2,1-2H3;5H,3-4H2,1-2H3