2-nitro-N-propyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline

Systemtic Name: 2-nitro-N-propyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline Openeye Name: 2-nitro-N-propyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline CAS Name: 2-nitro-N-propyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline IUPAC Name: 2-nitro-N-propyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline Traditional Name: [2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-propyl-amine Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-5-8-21-14-7-6-12(9-15(14)24(25)26)20-22-19(23-30-20)13-10-16(27-2)18(29-4)17(11-13)28-3/h6-7,9-11,21H,5,8H2,1-4H3