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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

InChI

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