3-[(2,4-dinitrophenyl)-(phenylmethyl)amino]propane-1,2-diol

Systemtic Name: 3-[(2,4-dinitrophenyl)-(phenylmethyl)amino]propane-1,2-diol Openeye Name: 3-(N-benzyl-2,4-dinitro-anilino)propane-1,2-diol CAS Name: 3-(2,4-dinitro-N-(phenylmethyl)anilino)propane-1,2-diol IUPAC Name: 3-(N-benzyl-2,4-dinitroanilino)propane-1,2-diol Traditional Name: 3-(N-benzyl-2,4-dinitro-anilino)propane-1,2-diol Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6/c20-11-14(21)10-17(9-12-4-2-1-3-5-12)15-7-6-13(18(22)23)8-16(15)19(24)25/h1-8,14,20-21H,9-11H2