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

Systemtic Name: N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-aniline Openeye Name: N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-aniline CAS Name: N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline IUPAC Name: N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline Traditional Name: cyclopentyl-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-phenyl]amine Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)NC4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)NC4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5/c1-28-18-10-8-13(12-19(18)29-2)20-23-21(30-24-20)14-7-9-16(17(11-14)25(26)27)22-15-5-3-4-6-15/h7-12,15,22H,3-6H2,1-2H3