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

Systemtic Name: N-[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-methoxy-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)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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