3-[1-(3-ethoxy-4-propoxy-phenyl)-2-nitro-ethyl]-1H-indole

Systemtic Name: 3-[1-(3-ethoxy-4-propoxy-phenyl)-2-nitro-ethyl]-1H-indole Openeye Name: 3-[1-(3-ethoxy-4-propoxy-phenyl)-2-nitro-ethyl]-1H-indole CAS Name: 3-[1-(3-ethoxy-4-propoxyphenyl)-2-nitroethyl]-1H-indole IUPAC Name: 3-[1-(3-ethoxy-4-propoxyphenyl)-2-nitroethyl]-1H-indole Traditional Name: 3-[1-(3-ethoxy-4-propoxy-phenyl)-2-nitro-ethyl]-1H-indole Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)OCC

InChI

InChI=1S/C21H24N2O4/c1-3-11-27-20-10-9-15(12-21(20)26-4-2)18(14-23(24)25)17-13-22-19-8-6-5-7-16(17)19/h5-10,12-13,18,22H,3-4,11,14H2,1-2H3