ethyl 1-[1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-isopropylanilino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-cumidino-2-keto-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]isonipecotic acid ethyl ester Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H31N3O7/c1-4-34-26(31)18-9-11-28(12-10-18)24(25(30)27-19-7-5-17(6-8-19)16(2)3)20-13-22-23(36-15-35-22)14-21(20)29(32)33/h5-8,13-14,16,18,24H,4,9-12,15H2,1-3H3,(H,27,30)