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

Systemtic Name: 6-methyl-3-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]-6-methyl-pyran-4-one CAS Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]-6-methyl-4-pyranone IUPAC Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]-6-methylpyran-4-one Traditional Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]-6-methyl-pyran-4-one Formula: C15H11NO7 MolecularWeight: 317.25034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO7/c1-8-6-13(19)14(15(20)23-8)12(18)5-3-9-2-4-11(17)10(7-9)16(21)22/h2-7,17,20H,1H3/b5-3+