3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-(4-methylphenyl)-1H-indole

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-(4-methylphenyl)-1H-indole Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-(p-tolyl)-1H-indole CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-(p-tolyl)-1H-indole Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(C[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(C[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N2O4/c1-15-6-8-16(9-7-15)24-23(18-4-2-3-5-20(18)25-24)19(13-26(27)28)17-10-11-21-22(12-17)30-14-29-21/h2-12,19,25H,13-14H2,1H3