azane; ethane; 2-methyl-5-nitro-benzene-1,4-diamine; hydrate; hydrobromide

Systemtic Name: azane; ethane; 2-methyl-5-nitro-benzene-1,4-diamine; hydrate; hydrobromide Openeye Name: ammonia; ethane; 2-methyl-5-nitro-benzene-1,4-diamine; hydrate; hydrobromide CAS Name: ammonia; ethane; 2-methyl-5-nitrobenzene-1,4-diamine; hydrate; hydrobromide IUPAC Name: azane; ethane; 2-methyl-5-nitrobenzene-1,4-diamine; hydrate; hydrobromide Traditional Name: (4-amino-2-methyl-5-nitro-phenyl)amine; ammonia; ethane; hydrate; hydrobromide Formula: C9H21BrN4O3 MolecularWeight: 313.19204

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC1=CC(=C(C=C1N)[N+](=O)[O-])N.N.O.Br

Isomeric SMILES

CC.CC1=CC(=C(C=C1N)[N+](=O)[O-])N.N.O.Br

InChI

InChI=1S/C7H9N3O2.C2H6.BrH.H3N.H2O/c1-4-2-6(9)7(10(11)12)3-5(4)8;1-2;;;/h2-3H,8-9H2,1H3;1-2H3;1H;1H3;1H2