2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid IUPAC Name: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3C4C=CC(C3C(=O)O)O4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3C4C=CC(C3C(=O)O)O4

InChI

InChI=1S/C18H19N3O6/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/h1-6,13-16H,7-10H2,(H,23,24)