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

Systemtic Name: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-aniline CAS Name: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline Traditional Name: benzyl-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-phenyl]amine Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H20N4O5/c1-30-20-11-9-16(13-21(20)31-2)22-25-23(32-26-22)17-8-10-18(19(12-17)27(28)29)24-14-15-6-4-3-5-7-15/h3-13,24H,14H2,1-2H3