N-[3-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]-2-methyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]-2-methyl-phenyl]-4-nitro-benzamide Openeye Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-nitro-benzamide CAS Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-nitrobenzamide IUPAC Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-nitrobenzamide Traditional Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-nitro-benzamide Formula: C21H13Cl2N3O4 MolecularWeight: 442.25162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC(=CC(=C4O3)Cl)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC(=CC(=C4O3)Cl)Cl

InChI

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