tert-butyl 2-cyclopropylcarbonyl-3-[4-(3-methylpentan-3-yl)-2-nitro-phenyl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-[4-(3-methylpentan-3-yl)-2-nitro-phenyl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-[4-(1-ethyl-1-methyl-propyl)-2-nitro-phenyl]-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[4-(3-methylpentan-3-yl)-2-nitrophenyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-[4-(3-methylpentan-3-yl)-2-nitrophenyl]-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-[4-(1-ethyl-1-methyl-propyl)-2-nitro-phenyl]-3-keto-propionic acid tert-butyl ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C1=CC(=C(C=C1)C(=O)C(C(=O)C2CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(CC)C1=CC(=C(C=C1)C(=O)C(C(=O)C2CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H31NO6/c1-7-23(6,8-2)15-11-12-16(17(13-15)24(28)29)20(26)18(19(25)14-9-10-14)21(27)30-22(3,4)5/h11-14,18H,7-10H2,1-6H3