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

Systemtic Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[3-(1,3-benzoxazol-2-yl)piperidino]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC(CN(C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H19ClN4O4/c21-15-10-14(25(27)28)7-8-16(15)22-19(26)12-24-9-3-4-13(11-24)20-23-17-5-1-2-6-18(17)29-20/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,22,26)