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

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

Isomeric SMILES

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

InChI

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