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

Systemtic Name: N-[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C28H27ClN4O4 MolecularWeight: 518.99138

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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(C=C4)N5CCCCC5)[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(C=C4)N5CCCCC5)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H27ClN4O4/c1-17(2)18-7-11-26-23(14-18)31-28(37-26)21-16-20(8-9-22(21)29)30-27(34)19-6-10-24(25(15-19)33(35)36)32-12-4-3-5-13-32/h6-11,14-17H,3-5,12-13H2,1-2H3,(H,30,34)