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

Systemtic Name: N-butyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-aniline Openeye Name: N-butyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-aniline CAS Name: N-butyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline IUPAC Name: N-butyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline Traditional Name: butyl-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-phenyl]amine Formula: C20H22N4O5 MolecularWeight: 398.41248

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-4-5-10-21-15-8-6-14(11-16(15)24(25)26)20-22-19(23-29-20)13-7-9-17(27-2)18(12-13)28-3/h6-9,11-12,21H,4-5,10H2,1-3H3