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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4/c1-2-13-6-9-20-19(10-13)25-22(30-20)14-4-3-5-15(11-14)24-21(27)17-12-16(26(28)29)7-8-18(17)23/h3-12H,2H2,1H3,(H,24,27)