(1S,6S)-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C18H20N3O5- MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C18H21N3O5/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/h1-2,5-8,15-16H,3-4,9-12H2,(H,23,24)/p-1/t15-,16-/m0/s1