3-(3-methylbut-2-enyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol

Systemtic Name: 3-(3-methylbut-2-enyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol Openeye Name: 3-(3-methylbut-2-enyl)-5-[(E)-2-(4-nitrophenyl)vinyl]benzene-1,2-diol CAS Name: 3-(3-methylbut-2-enyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol IUPAC Name: 3-(3-methylbut-2-enyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol Traditional Name: 3-(3-methylbut-2-enyl)-5-[(E)-2-(4-nitrophenyl)vinyl]pyrocatechol Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C(=CC(=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-])O)O)C

Isomeric SMILES

CC(=CCC1=C(C(=CC(=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])O)O)C

InChI

InChI=1S/C19H19NO4/c1-13(2)3-8-16-11-15(12-18(21)19(16)22)5-4-14-6-9-17(10-7-14)20(23)24/h3-7,9-12,21-22H,8H2,1-2H3/b5-4+