5-[(2,4-dinitrophenyl)-(phenylmethyl)amino]pentane-1,2-diol

Systemtic Name: 5-[(2,4-dinitrophenyl)-(phenylmethyl)amino]pentane-1,2-diol Openeye Name: 5-(N-benzyl-2,4-dinitro-anilino)pentane-1,2-diol CAS Name: 5-(2,4-dinitro-N-(phenylmethyl)anilino)pentane-1,2-diol IUPAC Name: 5-(N-benzyl-2,4-dinitroanilino)pentane-1,2-diol Traditional Name: 5-(N-benzyl-2,4-dinitro-anilino)pentane-1,2-diol Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c22-13-16(23)7-4-10-19(12-14-5-2-1-3-6-14)17-9-8-15(20(24)25)11-18(17)21(26)27/h1-3,5-6,8-9,11,16,22-23H,4,7,10,12-13H2