3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(5-methyl-6-nitro-cyclohexa-1,5-dien-1-yl)indazole

Systemtic Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(5-methyl-6-nitro-cyclohexa-1,5-dien-1-yl)indazole Openeye Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-(5-methyl-6-nitro-cyclohexa-1,5-dien-1-yl)indazole CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(5-methyl-6-nitro-1-cyclohexa-1,5-dienyl)indazole IUPAC Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(5-methyl-6-nitrocyclohexa-1,5-dien-1-yl)indazole Traditional Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-(5-methyl-6-nitro-cyclohexa-1,5-dien-1-yl)indazole Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CCC1)N2C3=CC=CC=C3C(=N2)C=CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CCC1)N2C3=CC=CC=C3C(=N2)/C=C/C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O4/c1-15-5-4-8-20(23(15)26(27)28)25-19-7-3-2-6-17(19)18(24-25)11-9-16-10-12-21-22(13-16)30-14-29-21/h2-3,6-13H,4-5,14H2,1H3/b11-9+