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

Systemtic Name: 3-[3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acryloyl]-6-methyl-pyran-2,4-quinone Formula: C16H13NO8 MolecularWeight: 347.27632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO8/c1-8-5-12(19)14(16(21)25-8)11(18)4-3-9-6-10(17(22)23)15(20)13(7-9)24-2/h3-7,14,20H,1-2H3