ethyl 1-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H20N3O6+ MolecularWeight: 362.3572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-2-26-17(23)11-6-8-18(9-7-11)10-19-15(21)12-4-3-5-13(20(24)25)14(12)16(19)22/h3-5,11H,2,6-10H2,1H3/p+1