3-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]acryloyl]-6-methyl-pyran-2,4-quinone Formula: C25H23NO7 MolecularWeight: 449.45262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=CC(=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H23NO7/c1-15-13-21(28)23(24(29)32-15)20(27)11-5-16-6-12-22(19(14-16)26(30)31)33-18-9-7-17(8-10-18)25(2,3)4/h5-14,23H,1-4H3/b11-5+