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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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