1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-nitroanilino)ethyl]piperidin-1-ium-4-carboxylate Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5/c18-13(9-16-6-4-10(5-7-16)14(19)20)15-11-2-1-3-12(8-11)17(21)22/h1-3,8,10H,4-7,9H2,(H,15,18)(H,19,20)