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

Systemtic Name: N-(4-chlorophenyl)-4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]-1-piperazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazine-1-carboxamide Formula: C18H22ClN7O5 MolecularWeight: 451.86418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN7O5/c1-20-16-14(25(28)29)11-15(26(30)31)17(22(16)2)23-7-9-24(10-8-23)18(27)21-13-5-3-12(19)4-6-13/h3-6,20H,7-11H2,1-2H3,(H,21,27)