N1-(2-azanylethyl)-4-nitro-N3-(phenylmethyl)benzene-1,3-diamine hydrochloride

Systemtic Name: N1-(2-azanylethyl)-4-nitro-N3-(phenylmethyl)benzene-1,3-diamine hydrochloride Openeye Name: N1-(2-aminoethyl)-N3-benzyl-4-nitro-benzene-1,3-diamine hydrochloride CAS Name: N1-(2-aminoethyl)-4-nitro-N3-(phenylmethyl)benzene-1,3-diamine hydrochloride IUPAC Name: 1-N-(2-aminoethyl)-3-N-benzyl-4-nitrobenzene-1,3-diamine hydrochloride Traditional Name: 2-aminoethyl-[3-(benzylamino)-4-nitro-phenyl]amine hydrochloride Formula: C15H19ClN4O2 MolecularWeight: 322.78996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=CC(=C2)NCCN)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=CC(=C2)NCCN)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H18N4O2.ClH/c16-8-9-17-13-6-7-15(19(20)21)14(10-13)18-11-12-4-2-1-3-5-12;/h1-7,10,17-18H,8-9,11,16H2;1H