3-[(4-nitrophenyl)methyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[(4-nitrophenyl)methyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-3-[(4-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[(4-nitrophenyl)methyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[(4-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-3-(4-nitrobenzyl)cyclohepta-2,4,6-trien-1-one Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=O)C=C1)O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=O)C=C1)O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4/c16-13-4-2-1-3-11(14(13)17)9-10-5-7-12(8-6-10)15(18)19/h1-8H,9H2,(H,16,17)