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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-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(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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