4-chloranyl-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

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