[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NCC=C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NCC=C)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N3O5/c1-5-8-21-19(24)15(4)28-20(25)16-6-7-17(18(10-16)23(26)27)22-11-13(2)9-14(3)12-22/h5-7,10,13-15H,1,8-9,11-12H2,2-4H3,(H,21,24)