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

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

Isomeric SMILES

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

InChI

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