methyl 1-[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-nitro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H19ClN3O5+ MolecularWeight: 356.78146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O5/c1-24-15(21)10-4-6-18(7-5-10)9-14(20)17-12-8-11(16)2-3-13(12)19(22)23/h2-3,8,10H,4-7,9H2,1H3,(H,17,20)/p+1