[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H26N4O5/c1-23(21(15-22)9-3-2-4-10-21)19(26)14-30-20(27)17-13-16(25(28)29)7-8-18(17)24-11-5-6-12-24/h7-8,13H,2-6,9-12,14H2,1H3