methyl (2S,9Z,10aR)-2-[(1S)-1-(5-but-3-enylfuran-3-yl)-2-nitro-ethyl]-3-oxidanylidene-1,5,6,7,8,10a-hexahydropyrrolo[1,2-a]azocine-2-carboxylate

Systemtic Name: methyl (2S,9Z,10aR)-2-[(1S)-1-(5-but-3-enylfuran-3-yl)-2-nitro-ethyl]-3-oxidanylidene-1,5,6,7,8,10a-hexahydropyrrolo[1,2-a]azocine-2-carboxylate Openeye Name: methyl (2S,9Z,10aR)-2-[(1S)-1-(5-but-3-enyl-3-furyl)-2-nitro-ethyl]-3-oxo-1,5,6,7,8,10a-hexahydropyrrolo[1,2-a]azocine-2-carboxylate CAS Name: (2S,9Z,10aR)-2-[(1S)-1-(5-but-3-enyl-3-furanyl)-2-nitroethyl]-3-oxo-1,5,6,7,8,10a-hexahydropyrrolo[1,2-a]azocine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,9Z,10aR)-2-[(1S)-1-(5-but-3-enylfuran-3-yl)-2-nitroethyl]-3-oxo-1,5,6,7,8,10a-hexahydropyrrolo[1,2-a]azocine-2-carboxylate Traditional Name: (2S,9Z,10aR)-2-[(1S)-1-(5-but-3-enyl-3-furyl)-2-nitro-ethyl]-3-keto-1,5,6,7,8,10a-hexahydropyrrol[1,2-a]azocine-2-carboxylic acid methyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2C=CCCCCN2C1=O)C(C[N+](=O)[O-])C3=COC(=C3)CCC=C

Isomeric SMILES

COC(=O)[C@@]1(C[C@@H]2/C=C\CCCCN2C1=O)[C@@H](C[N+](=O)[O-])C3=COC(=C3)CCC=C

InChI

InChI=1S/C22H28N2O6/c1-3-4-10-18-12-16(15-30-18)19(14-24(27)28)22(21(26)29-2)13-17-9-7-5-6-8-11-23(17)20(22)25/h3,7,9,12,15,17,19H,1,4-6,8,10-11,13-14H2,2H3/b9-7-/t17-,19-,22-/m0/s1