N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2,4-dinitro-aniline

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2,4-dinitro-aniline Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-2,4-dinitro-aniline CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2,4-dinitroaniline IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[[6-(4-methylpiperazino)-3-pyridyl]methyl]amine Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-20-6-8-21(9-7-20)17-5-2-13(12-19-17)11-18-15-4-3-14(22(24)25)10-16(15)23(26)27/h2-5,10,12,18H,6-9,11H2,1H3