[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C21H26N4O5/c1-14-7-9-24(10-8-14)18-6-5-16(25(28)29)11-17(18)20(27)30-12-19(26)23-21(2,13-22)15-3-4-15/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,23,26)/t21-/m1/s1