(6-oxidanylidene-6-phenyl-hex-1-en-3-yl) nitrate

Systemtic Name: (6-oxidanylidene-6-phenyl-hex-1-en-3-yl) nitrate Openeye Name: (4-oxo-4-phenyl-1-vinyl-butyl) nitrate CAS Name: nitric acid (6-oxo-6-phenylhex-1-en-3-yl) ester IUPAC Name: (6-oxo-6-phenylhex-1-en-3-yl) nitrate Traditional Name: nitric acid 1-(3-keto-3-phenyl-propyl)allyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-2-11(17-13(15)16)8-9-12(14)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2