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

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

Isomeric SMILES

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

InChI

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