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

Systemtic Name: N-[2-chloranyl-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide Formula: C23H18ClN3O4 MolecularWeight: 435.85972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H18ClN3O4/c1-3-14-7-10-21-19(11-14)26-23(31-21)15-8-9-17(24)18(12-15)25-22(28)16-5-4-6-20(13(16)2)27(29)30/h4-12H,3H2,1-2H3,(H,25,28)