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

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-1H-indole Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-1H-indole CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-1H-indole IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-1H-indole Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-1H-indole Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C17H14N2O4/c20-19(21)9-14(11-5-6-16-17(7-11)23-10-22-16)13-8-18-15-4-2-1-3-12(13)15/h1-8,14,18H,9-10H2