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

Systemtic Name: 1-(3-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol Openeye Name: 1-(3-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol CAS Name: 1-(3-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol IUPAC Name: 1-(3-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol Traditional Name: 1-(3-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(=CC(=C1)Cl)C(CC(CO)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

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