4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[3-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-3-nitro-benzamide CAS Name: 4-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[3-(1,3-benzoxazol-2-yl)piperidino]methyl]-3-nitro-benzamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O4/c21-19(25)13-7-8-14(17(10-13)24(26)27)11-23-9-3-4-15(12-23)20-22-16-5-1-2-6-18(16)28-20/h1-2,5-8,10,15H,3-4,9,11-12H2,(H2,21,25)