N-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]methyl]-3-nitro-aniline

Systemtic Name: N-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]methyl]-3-nitro-aniline Openeye Name: N-[[3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1H-indazol-6-yl]methyl]-3-nitro-aniline CAS Name: N-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]methyl]-3-nitroaniline IUPAC Name: N-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]methyl]-3-nitroaniline Traditional Name: [3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1H-indazol-6-yl]methyl-(3-nitrophenyl)amine Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NNC4=C3C=CC(=C4)CNC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NNC4=C3C=CC(=C4)CNC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4/c28-27(29)18-3-1-2-17(12-18)24-13-16-4-7-19-20(25-26-21(19)10-16)8-5-15-6-9-22-23(11-15)31-14-30-22/h1-12,24H,13-14H2,(H,25,26)/b8-5+