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

Systemtic Name: 4-chloranyl-N-[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-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=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)[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)Cl)[N+](=O)[O-])Cl

InChI

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