4-(3-methyl-2-nitro-phenoxy)butane-1,3-diol

Systemtic Name: 4-(3-methyl-2-nitro-phenoxy)butane-1,3-diol Openeye Name: 4-(3-methyl-2-nitro-phenoxy)butane-1,3-diol CAS Name: 4-(3-methyl-2-nitrophenoxy)butane-1,3-diol IUPAC Name: 4-(3-methyl-2-nitrophenoxy)butane-1,3-diol Traditional Name: 4-(3-methyl-2-nitro-phenoxy)butane-1,3-diol Formula: C11H15NO5 MolecularWeight: 241.2405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(CCO)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(CCO)O)[N+](=O)[O-]

InChI

InChI=1S/C11H15NO5/c1-8-3-2-4-10(11(8)12(15)16)17-7-9(14)5-6-13/h2-4,9,13-14H,5-7H2,1H3