N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-furan-2-carboxamide CAS Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-2-furamide Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O5/c1-3-12(2)13-5-7-18-17(10-13)25-22(31-18)14-4-6-15(23)16(11-14)24-21(27)19-8-9-20(30-19)26(28)29/h4-12H,3H2,1-2H3,(H,24,27)