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

Systemtic Name: N-butyl-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline Openeye Name: N-butyl-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline CAS Name: N-butyl-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline IUPAC Name: N-butyl-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline Traditional Name: butyl-[2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]amine Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6/c1-5-6-9-22-15-8-7-13(10-16(15)25(26)27)21-23-20(24-31-21)14-11-17(28-2)19(30-4)18(12-14)29-3/h7-8,10-12,22H,5-6,9H2,1-4H3