ethyl (3S)-1-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H24N3O6+ MolecularWeight: 366.38896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6/c1-3-26-17(22)12-5-4-8-19(10-12)11-16(21)18-14-7-6-13(25-2)9-15(14)20(23)24/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,18,21)/p+1/t12-/m0/s1