4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-phenyl-carbonimidoyl]-1-methyl-piperidin-4-ol

Systemtic Name: 4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-phenyl-carbonimidoyl]-1-methyl-piperidin-4-ol Openeye Name: 4-[(E)-N-(2,4-dinitroanilino)-C-phenyl-carbonimidoyl]-1-methyl-piperidin-4-ol CAS Name: 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]-phenylmethyl]-1-methyl-4-piperidinol IUPAC Name: 4-[(E)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]-1-methylpiperidin-4-ol Traditional Name: 4-[(E)-N-(2,4-dinitroanilino)-C-phenyl-carbonimidoyl]-1-methyl-piperidin-4-ol Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)O

Isomeric SMILES

CN1CCC(CC1)(/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3)O

InChI

InChI=1S/C19H21N5O5/c1-22-11-9-19(25,10-12-22)18(14-5-3-2-4-6-14)21-20-16-8-7-15(23(26)27)13-17(16)24(28)29/h2-8,13,20,25H,9-12H2,1H3/b21-18+