ethyl 1-[[3-[[4-(furan-3-yl)-2-nitro-phenyl]amino]phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-[[4-(furan-3-yl)-2-nitro-phenyl]amino]phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-[4-(3-furyl)-2-nitro-anilino]phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[4-(3-furanyl)-2-nitroanilino]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[4-(furan-3-yl)-2-nitroanilino]phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[3-[4-(3-furyl)-2-nitro-anilino]benzyl]isonipecotic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=COC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=COC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O5/c1-2-33-25(29)19-8-11-27(12-9-19)16-18-4-3-5-22(14-18)26-23-7-6-20(15-24(23)28(30)31)21-10-13-32-17-21/h3-7,10,13-15,17,19,26H,2,8-9,11-12,16H2,1H3