methyl 3-[3-(1H-indol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoate

Systemtic Name: methyl 3-[3-(1H-indol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoate Openeye Name: methyl 3-[3-(1H-indol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoate CAS Name: 3-[3-(1H-indol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(1H-indol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoate Traditional Name: 3-[3-(1H-indol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propionic acid methyl ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)NC=C4)CCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)NC=C4)CCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O5/c1-17(19-6-4-3-5-7-19)33-26-22(20-9-10-23-21(16-20)12-13-27-23)14-18(8-11-25(29)32-2)15-24(26)28(30)31/h3-7,9-10,12-17,27H,8,11H2,1-2H3