3-nitro-5-phenethyl-benzene-1,2-diol

Systemtic Name: 3-nitro-5-phenethyl-benzene-1,2-diol Openeye Name: 3-nitro-5-phenethyl-benzene-1,2-diol CAS Name: 3-nitro-5-phenethylbenzene-1,2-diol IUPAC Name: 3-nitro-5-phenethylbenzene-1,2-diol Traditional Name: 3-nitro-5-phenethyl-pyrocatechol Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO4/c16-13-9-11(8-12(14(13)17)15(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,16-17H,6-7H2