3-[(E)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(E)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-(4,5-dimethoxy-2-nitro-phenyl)acryloyl]-6-methyl-pyran-2,4-quinone Formula: C17H15NO8 MolecularWeight: 361.3029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO8/c1-9-6-13(20)16(17(21)26-9)12(19)5-4-10-7-14(24-2)15(25-3)8-11(10)18(22)23/h4-8,16H,1-3H3/b5-4+