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

Systemtic Name: 4-chloranyl-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide Formula: C22H16ClN3O5 MolecularWeight: 437.83254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O5/c1-12-3-4-14(22-25-18-11-15(30-2)6-8-20(18)31-22)9-17(12)24-21(27)13-5-7-16(23)19(10-13)26(28)29/h3-11H,1-2H3,(H,24,27)