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

Systemtic Name: 4-chloranyl-N-[2-(3-chloranyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Formula: C21H13Cl2N3O5 MolecularWeight: 458.25102

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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)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2N3O5/c1-30-18-6-3-12(8-15(18)23)21-25-16-10-13(4-7-19(16)31-21)24-20(27)11-2-5-14(22)17(9-11)26(28)29/h2-10H,1H3,(H,24,27)