N-[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-furan-2-carboxamide CAS Name: N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-2-furamide Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O5/c1-11(2)12-3-6-17-16(9-12)24-21(30-17)14-10-13(4-5-15(14)22)23-20(26)18-7-8-19(29-18)25(27)28/h3-11H,1-2H3,(H,23,26)