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

Systemtic Name: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline Openeye Name: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-(tetrahydrofuran-2-ylmethyl)aniline CAS Name: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-(2-oxolanylmethyl)aniline IUPAC Name: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline Traditional Name: [4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-phenyl]-(tetrahydrofurfuryl)amine Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)NCC4CCCO4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)NCC4CCCO4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O6/c1-28-18-8-6-13(11-19(18)29-2)20-23-21(31-24-20)14-5-7-16(17(10-14)25(26)27)22-12-15-4-3-9-30-15/h5-8,10-11,15,22H,3-4,9,12H2,1-2H3