(4R,4aS,7aS)-3-methyl-4-(4-nitrophenyl)-2-oxidanidyl-4,4a,5,6,7,7a-hexahydrocyclopenta[e][1,2]oxazin-2-ium

Systemtic Name: (4R,4aS,7aS)-3-methyl-4-(4-nitrophenyl)-2-oxidanidyl-4,4a,5,6,7,7a-hexahydrocyclopenta[e][1,2]oxazin-2-ium Openeye Name: (4R,4aS,7aS)-3-methyl-4-(4-nitrophenyl)-2-oxido-4,4a,5,6,7,7a-hexahydrocyclopenta[e]oxazin-2-ium CAS Name: (4R,4aS,7aS)-3-methyl-4-(4-nitrophenyl)-2-oxido-4,4a,5,6,7,7a-hexahydrocyclopenta[e]oxazin-2-ium IUPAC Name: (4R,4aS,7aS)-3-methyl-4-(4-nitrophenyl)-2-oxido-4,4a,5,6,7,7a-hexahydrocyclopenta[e]oxazin-2-ium Traditional Name: (4R,4aS,7aS)-3-methyl-4-(4-nitrophenyl)-2-oxido-4,4a,5,6,7,7a-hexahydrocyclopenta[e]oxazin-2-ium Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](OC2CCCC2C1C3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=[N+](O[C@H]2CCC[C@H]2[C@@H]1C3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H16N2O4/c1-9-14(10-5-7-11(8-6-10)15(17)18)12-3-2-4-13(12)20-16(9)19/h5-8,12-14H,2-4H2,1H3/t12-,13+,14+/m1/s1