3-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-(4-ethyl-3-nitrophenyl)-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-(4-ethyl-3-nitrophenyl)prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-(4-ethyl-3-nitro-phenyl)acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC(=O)C2=C(OC(=CC2=O)C)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C(=O)C2=C(OC(=CC2=O)C)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6/c1-3-12-6-4-11(9-13(12)18(22)23)5-7-14(19)16-15(20)8-10(2)24-17(16)21/h4-9,21H,3H2,1-2H3/b7-5+