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

Systemtic Name: 3-(4-nitrophenyl)-1-phenyl-butane-1,4-diol Openeye Name: 3-(4-nitrophenyl)-1-phenyl-butane-1,4-diol CAS Name: 3-(4-nitrophenyl)-1-phenylbutane-1,4-diol IUPAC Name: 3-(4-nitrophenyl)-1-phenylbutane-1,4-diol Traditional Name: 3-(4-nitrophenyl)-1-phenyl-butane-1,4-diol Formula: C16H17NO4 MolecularWeight: 287.31048

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c18-11-14(10-16(19)13-4-2-1-3-5-13)12-6-8-15(9-7-12)17(20)21/h1-9,14,16,18-19H,10-11H2