3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-1-methyl-2-phenyl-indole

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-1-methyl-2-phenyl-indole Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-1-methyl-2-phenyl-indole CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-1-methyl-2-phenylindole IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-1-methyl-2-phenylindole Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-1-methyl-2-phenyl-indole Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

InChI

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