[2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-[1-cyclopentenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-[cyclopenten-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O5/c1-5-21(15-8-6-7-9-15)18(23)13-27-19(24)14-10-11-16(20(2,3)4)17(12-14)22(25)26/h8,10-12H,5-7,9,13H2,1-4H3