N1-(2-azanylethyl)-2-methyl-5-nitro-benzene-1,4-diamine hydrate hydrobromide

Systemtic Name: N1-(2-azanylethyl)-2-methyl-5-nitro-benzene-1,4-diamine hydrate hydrobromide Openeye Name: N1-(2-aminoethyl)-2-methyl-5-nitro-benzene-1,4-diamine hydrate hydrobromide CAS Name: N1-(2-aminoethyl)-2-methyl-5-nitrobenzene-1,4-diamine hydrate hydrobromide IUPAC Name: 1-N-(2-aminoethyl)-2-methyl-5-nitrobenzene-1,4-diamine hydrate hydrobromide Traditional Name: 2-aminoethyl-(4-amino-2-methyl-5-nitro-phenyl)amine hydrate hydrobromide Formula: C9H17BrN4O3 MolecularWeight: 309.16028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NCCN)[N+](=O)[O-])N.O.Br

Isomeric SMILES

CC1=CC(=C(C=C1NCCN)[N+](=O)[O-])N.O.Br

InChI

InChI=1S/C9H14N4O2.BrH.H2O/c1-6-4-7(11)9(13(14)15)5-8(6)12-3-2-10;;/h4-5,12H,2-3,10-11H2,1H3;1H;1H2