3-(3-nitro-4-phenoxy-phenyl)butane-1,3-diol

Systemtic Name: 3-(3-nitro-4-phenoxy-phenyl)butane-1,3-diol Openeye Name: 3-(3-nitro-4-phenoxy-phenyl)butane-1,3-diol CAS Name: 3-(3-nitro-4-phenoxyphenyl)butane-1,3-diol IUPAC Name: 3-(3-nitro-4-phenoxyphenyl)butane-1,3-diol Traditional Name: 3-(3-nitro-4-phenoxy-phenyl)butane-1,3-diol Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)(C1=CC(=C(C=C1)OC2=CC=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(CCO)(C1=CC(=C(C=C1)OC2=CC=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H17NO5/c1-16(19,9-10-18)12-7-8-15(14(11-12)17(20)21)22-13-5-3-2-4-6-13/h2-8,11,18-19H,9-10H2,1H3