(1S,2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H23N3O5/c22-17(15-3-1-2-4-16(15)18(23)24)20-11-9-19(10-12-20)13-5-7-14(8-6-13)21(25)26/h5-8,15-16H,1-4,9-12H2,(H,23,24)/t15-,16-/m0/s1