4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C18H23N7O5 MolecularWeight: 417.41912

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(CC(=C(N1C)N2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(CC(=C(N1C)N2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O5/c1-19-16-14(24(27)28)12-15(25(29)30)17(21(16)2)22-8-10-23(11-9-22)18(26)20-13-6-4-3-5-7-13/h3-7,19H,8-12H2,1-2H3,(H,20,26)