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

Systemtic Name: 3-[(E)-3-[4-(4-chloranyl-3-methyl-phenoxy)-3-nitro-phenyl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-[4-(4-chloro-3-methyl-phenoxy)-3-nitro-phenyl]prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-[4-(4-chloro-3-methyl-phenoxy)-3-nitro-phenyl]acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C22H16ClNO7 MolecularWeight: 441.81794

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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)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClNO7/c1-12-9-15(5-6-16(12)23)31-20-8-4-14(11-17(20)24(28)29)3-7-18(25)21-19(26)10-13(2)30-22(21)27/h3-11,27H,1-2H3/b7-3+