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

Systemtic Name: N-[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-ethoxy-3-nitro-benzamide Formula: C23H18ClN3O5 MolecularWeight: 451.85912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN3O5/c1-3-31-21-8-6-14(11-19(21)27(29)30)22(28)25-17-10-15(5-4-13(17)2)23-26-18-12-16(24)7-9-20(18)32-23/h4-12H,3H2,1-2H3,(H,25,28)