N-[5-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]-2-methyl-phenyl]-2-nitro-benzamide

Systemtic Name: N-[5-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]-2-methyl-phenyl]-2-nitro-benzamide Openeye Name: N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-nitro-benzamide CAS Name: N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide IUPAC Name: N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide Traditional Name: N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-nitro-benzamide Formula: C21H13Cl2N3O4 MolecularWeight: 442.25162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)Cl)Cl)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)Cl)Cl)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H13Cl2N3O4/c1-11-6-7-12(21-25-17-10-13(22)9-15(23)19(17)30-21)8-16(11)24-20(27)14-4-2-3-5-18(14)26(28)29/h2-10H,1H3,(H,24,27)