N1,N3-dimethyl-4,6-dinitro-benzene-1,3-diamine

Systemtic Name: N1,N3-dimethyl-4,6-dinitro-benzene-1,3-diamine Openeye Name: N1,N3-dimethyl-4,6-dinitro-benzene-1,3-diamine CAS Name: N1,N3-dimethyl-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 1-N,3-N-dimethyl-4,6-dinitrobenzene-1,3-diamine Traditional Name: methyl-[5-(methylamino)-2,4-dinitro-phenyl]amine Formula: C8H10N4O4 MolecularWeight: 226.1894

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC

Isomeric SMILES

CNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC

InChI

InChI=1S/C8H10N4O4/c1-9-5-3-6(10-2)8(12(15)16)4-7(5)11(13)14/h3-4,9-10H,1-2H3