butyl 2-(4-tert-butyl-2-nitro-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanoate

Systemtic Name: butyl 2-(4-tert-butyl-2-nitro-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: butyl 2-(4-tert-butyl-2-nitro-benzoyl)-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[(4-tert-butyl-2-nitrophenyl)-oxomethyl]-3-cyclopropyl-3-oxopropanoic acid butyl ester IUPAC Name: butyl 2-(4-tert-butyl-2-nitrobenzoyl)-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-(4-tert-butyl-2-nitro-benzoyl)-3-cyclopropyl-3-keto-propionic acid butyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)C1CC1)C(=O)C2=C(C=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C(C(=O)C1CC1)C(=O)C2=C(C=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27NO6/c1-5-6-11-28-20(25)17(18(23)13-7-8-13)19(24)15-10-9-14(21(2,3)4)12-16(15)22(26)27/h9-10,12-13,17H,5-8,11H2,1-4H3