2-methyl-4-nitro-N-(3-piperazin-1-ylpropyl)aniline

Systemtic Name: 2-methyl-4-nitro-N-(3-piperazin-1-ylpropyl)aniline Openeye Name: 2-methyl-4-nitro-N-(3-piperazin-1-ylpropyl)aniline CAS Name: 2-methyl-4-nitro-N-[3-(1-piperazinyl)propyl]aniline IUPAC Name: 2-methyl-4-nitro-N-(3-piperazin-1-ylpropyl)aniline Traditional Name: (2-methyl-4-nitro-phenyl)-(3-piperazinopropyl)amine Formula: C14H22N4O2 MolecularWeight: 278.35008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCCCN2CCNCC2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCCCN2CCNCC2

InChI

InChI=1S/C14H22N4O2/c1-12-11-13(18(19)20)3-4-14(12)16-5-2-8-17-9-6-15-7-10-17/h3-4,11,15-16H,2,5-10H2,1H3