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

Systemtic Name: N-[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide Formula: C24H20ClN3O4 MolecularWeight: 449.8863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H20ClN3O4/c1-13(2)15-6-9-22-20(10-15)27-24(32-22)18-12-17(7-8-19(18)25)26-23(29)16-5-4-14(3)21(11-16)28(30)31/h4-13H,1-3H3,(H,26,29)