4-(2-bromanyl-6-nitro-phenyl)-1-(hydroxymethyl)cyclohexa-2,5-dien-1-ol

Systemtic Name: 4-(2-bromanyl-6-nitro-phenyl)-1-(hydroxymethyl)cyclohexa-2,5-dien-1-ol Openeye Name: 4-(2-bromo-6-nitro-phenyl)-1-(hydroxymethyl)cyclohexa-2,5-dien-1-ol CAS Name: 4-(2-bromo-6-nitrophenyl)-1-(hydroxymethyl)-1-cyclohexa-2,5-dienol IUPAC Name: 4-(2-bromo-6-nitrophenyl)-1-(hydroxymethyl)cyclohexa-2,5-dien-1-ol Traditional Name: 4-(2-bromo-6-nitro-phenyl)-1-methylol-cyclohexa-2,5-dien-1-ol Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Br)C2C=CC(C=C2)(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)Br)C2C=CC(C=C2)(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrNO4/c14-10-2-1-3-11(15(18)19)12(10)9-4-6-13(17,8-16)7-5-9/h1-7,9,16-17H,8H2