3-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-1H-indole

Systemtic Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-1H-indole Openeye Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-1H-indole CAS Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-1H-indole IUPAC Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-1H-indole Traditional Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-1H-indole Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)OC

InChI

InChI=1S/C18H18N2O4/c1-23-17-8-7-12(9-18(17)24-2)15(11-20(21)22)14-10-19-16-6-4-3-5-13(14)16/h3-10,15,19H,11H2,1-2H3