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

Systemtic Name: N-[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-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)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C)Cl)[N+](=O)[O-]

InChI

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