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

Systemtic Name: N-[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-methyl-3-nitro-benzamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

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