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

Systemtic Name: 2-chloranyl-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide Formula: C22H16ClN3O6 MolecularWeight: 453.83194

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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=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O6/c1-30-19-7-3-12(9-20(19)31-2)22-25-17-10-13(4-8-18(17)32-22)24-21(27)15-6-5-14(26(28)29)11-16(15)23/h3-11H,1-2H3,(H,24,27)