[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-4-piperidinecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-furoyl)isonipecotic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18ClN3O7 MolecularWeight: 435.81512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C19H18ClN3O7/c20-14-4-3-13(10-15(14)23(27)28)21-17(24)11-30-19(26)12-5-7-22(8-6-12)18(25)16-2-1-9-29-16/h1-4,9-10,12H,5-8,11H2,(H,21,24)