ethyl 1-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C16H20BrN3O5 MolecularWeight: 414.2511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H20BrN3O5/c1-2-25-16(22)11-5-7-19(8-6-11)10-15(21)18-14-4-3-12(20(23)24)9-13(14)17/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,21)