1-(2-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol

Systemtic Name: 1-(2-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol Openeye Name: 1-(2-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol CAS Name: 1-(2-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol IUPAC Name: 1-(2-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol Traditional Name: 1-(2-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO4/c17-15-4-2-1-3-14(15)16(20)9-12(10-19)11-5-7-13(8-6-11)18(21)22/h1-8,12,16,19-20H,9-10H2