2-[4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]piperazino]ethanol Formula: C14H20N6O5 MolecularWeight: 352.3458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N2CCN(CC2)CCO

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/N2CCN(CC2)CCO

InChI

InChI=1S/C14H20N6O5/c1-11(18-6-4-17(5-7-18)8-9-21)15-16-13-3-2-12(19(22)23)10-14(13)20(24)25/h2-3,10,16,21H,4-9H2,1H3/b15-11+