6-[(2,4-dinitrophenyl)-(phenylmethyl)amino]hexane-1,2-diol

Systemtic Name: 6-[(2,4-dinitrophenyl)-(phenylmethyl)amino]hexane-1,2-diol Openeye Name: 6-(N-benzyl-2,4-dinitro-anilino)hexane-1,2-diol CAS Name: 6-(2,4-dinitro-N-(phenylmethyl)anilino)hexane-1,2-diol IUPAC Name: 6-(N-benzyl-2,4-dinitroanilino)hexane-1,2-diol Traditional Name: 6-(N-benzyl-2,4-dinitro-anilino)hexane-1,2-diol Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCC(CO)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCCC(CO)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6/c23-14-17(24)8-4-5-11-20(13-15-6-2-1-3-7-15)18-10-9-16(21(25)26)12-19(18)22(27)28/h1-3,6-7,9-10,12,17,23-24H,4-5,8,11,13-14H2