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

Systemtic Name: 1-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C14H16ClN3O5 MolecularWeight: 341.74694

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H16ClN3O5/c15-11-7-10(18(22)23)1-2-12(11)16-13(19)8-17-5-3-9(4-6-17)14(20)21/h1-2,7,9H,3-6,8H2,(H,16,19)(H,20,21)