2,2-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-cyclopropane-1-carboxylic acid

Systemtic Name: 2,2-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-cyclopropane-1-carboxylic acid Openeye Name: 2,2-dimethyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopropanecarboxylic acid CAS Name: 2,2-dimethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2,2-dimethyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid Traditional Name: 2,2-dimethyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopropanecarboxylic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(C1C(=O)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O5/c1-17(2)13(14(17)16(22)23)15(21)19-9-7-18(8-10-19)11-3-5-12(6-4-11)20(24)25/h3-6,13-14H,7-10H2,1-2H3,(H,22,23)