N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H17N3O6/c1-29-19-9-5-14(11-20(19)30-2)22-24-17-12-15(6-10-18(17)31-22)23-21(26)13-3-7-16(8-4-13)25(27)28/h3-12H,1-2H3,(H,23,26)