ethyl 1-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26N3O6+ MolecularWeight: 380.41554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H25N3O6/c1-4-27-18(23)13-7-9-20(10-8-13)12(2)17(22)19-15-6-5-14(21(24)25)11-16(15)26-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,19,22)/p+1/t12-/m1/s1