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

Systemtic Name: N-[5-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide IUPAC Name: N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide Traditional Name: N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-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/c1-11-5-6-13(21-25-18-10-14(22)9-16(23)19(18)30-21)8-17(11)24-20(27)12-3-2-4-15(7-12)26(28)29/h2-10H,1H3,(H,24,27)