2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid IUPAC Name: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC2C(C(C1O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H21N3O6/c22-17(15-13-5-6-14(27-13)16(15)18(23)24)20-9-7-19(8-10-20)11-1-3-12(4-2-11)21(25)26/h1-4,13-16H,5-10H2,(H,23,24)