N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2,4-dinitro-aniline

Systemtic Name: N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2,4-dinitro-aniline Openeye Name: N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2,4-dinitro-aniline CAS Name: N-[3-methyl-2-(4-methyl-1-piperazinyl)butyl]-2,4-dinitroaniline IUPAC Name: N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[3-methyl-2-(4-methylpiperazino)butyl]amine Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N2CCN(CC2)C

Isomeric SMILES

CC(C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N2CCN(CC2)C

InChI

InChI=1S/C16H25N5O4/c1-12(2)16(19-8-6-18(3)7-9-19)11-17-14-5-4-13(20(22)23)10-15(14)21(24)25/h4-5,10,12,16-17H,6-9,11H2,1-3H3