3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-isoindole

Systemtic Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-isoindole Openeye Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-nitro-1H-isoindole CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-isoindole IUPAC Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-isoindole Traditional Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-nitro-1H-isoindole Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=N1)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=N1)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H12N2O4/c20-19(21)13-3-4-14-12(8-13)9-18-15(14)5-1-11-2-6-16-17(7-11)23-10-22-16/h1-8H,9-10H2/b5-1+