methyl 1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(2-nitroanilino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H20N3O5+ MolecularWeight: 322.3364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5/c1-23-15(20)11-6-8-17(9-7-11)10-14(19)16-12-4-2-3-5-13(12)18(21)22/h2-5,11H,6-10H2,1H3,(H,16,19)/p+1