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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

InChI

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