3-methyl-5-nitro-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-methyl-5-nitro-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-methyl-5-nitro-cyclohepta-2,4,6-trien-1-one CAS Name: 3-methyl-5-nitro-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-methyl-5-nitrocyclohepta-2,4,6-trien-1-one Traditional Name: 3-methyl-5-nitro-cyclohepta-2,4,6-trien-1-one Formula: C8H7NO3 MolecularWeight: 165.14608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO3/c1-6-4-7(9(11)12)2-3-8(10)5-6/h2-5H,1H3