[4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazino]-phenyl-methanone Formula: C18H22N6O5 MolecularWeight: 402.40448

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(CC(=C(N1C)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(CC(=C(N1C)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O5/c1-19-16-14(23(26)27)12-15(24(28)29)17(20(16)2)21-8-10-22(11-9-21)18(25)13-6-4-3-5-7-13/h3-7,19H,8-12H2,1-2H3