5-nitro-2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-nitro-2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-5-nitro-3-[(E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-5-nitro-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-5-nitro-3-[(E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-5-nitro-3-[(E)-3-phenylacryloyl]cyclohepta-2,4,6-trien-1-one Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H11NO5/c18-14(8-6-11-4-2-1-3-5-11)13-10-12(17(21)22)7-9-15(19)16(13)20/h1-10H,(H,19,20)/b8-6+