tert-butyl 2-[3-nitro-4-(3-phenylpropyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-oxidanylidene-ethanoate

Systemtic Name: tert-butyl 2-[3-nitro-4-(3-phenylpropyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[3-nitro-4-(3-phenylpropyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-oxo-acetate CAS Name: 2-[3-nitro-4-(3-phenylpropyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-nitro-4-(3-phenylpropyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-oxoacetate Traditional Name: 2-keto-2-[3-nitro-4-(3-phenylpropyl)-1,2,3,4-tetrahydropyridin-2-yl]acetic acid tert-butyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C1C(C(C=CN1)CCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)C1C(C(C=CN1)CCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O5/c1-20(2,3)27-19(24)18(23)16-17(22(25)26)15(12-13-21-16)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-17,21H,7,10-11H2,1-3H3