2-[(E)-5-(4-nitrophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 4-tert-butylbenzoate

Systemtic Name: 2-[(E)-5-(4-nitrophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 4-tert-butylbenzoate Openeye Name: 2-[(E)-5-(4-nitrophenyl)-3-oxo-pent-4-enoyl]oxyethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 2-[(E)-5-(4-nitrophenyl)-1,3-dioxopent-4-enoxy]ethyl ester IUPAC Name: 2-[(E)-5-(4-nitrophenyl)-3-oxopent-4-enoyl]oxyethyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 2-[(E)-3-keto-5-(4-nitrophenyl)pent-4-enoyl]oxyethyl ester Formula: C24H25NO7 MolecularWeight: 439.4578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCOC(=O)CC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCOC(=O)CC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H25NO7/c1-24(2,3)19-9-7-18(8-10-19)23(28)32-15-14-31-22(27)16-21(26)13-6-17-4-11-20(12-5-17)25(29)30/h4-13H,14-16H2,1-3H3/b13-6+