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

Systemtic Name: 3-[(E)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-[4-(dimethylamino)-3-nitrophenyl]-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-[4-(dimethylamino)-3-nitro-phenyl]acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C17H16N2O6 MolecularWeight: 344.31874

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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)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-10-8-15(21)16(17(22)25-10)14(20)7-5-11-4-6-12(18(2)3)13(9-11)19(23)24/h4-9,22H,1-3H3/b7-5+