N-[1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[2-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[1-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[2-[3-(1,3-benzoxazol-2-yl)piperidino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC(C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-14(23-20(27)15-6-4-8-17(12-15)26(29)30)22(28)25-11-5-7-16(13-25)21-24-18-9-2-3-10-19(18)31-21/h2-4,6,8-10,12,14,16H,5,7,11,13H2,1H3,(H,23,27)