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

Systemtic Name: N-[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-chloro-3-(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=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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