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

Systemtic Name: N-[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H16ClN3O4/c1-12-16(22-25-18-11-14(23)9-10-20(18)30-22)6-3-7-17(12)24-21(27)15-5-4-8-19(13(15)2)26(28)29/h3-11H,1-2H3,(H,24,27)