[(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-butyl] nitrate

Systemtic Name: [(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-butyl] nitrate Openeye Name: [(2E)-2-[(4-methoxyphenyl)methylene]-3-oxo-butyl] nitrate CAS Name: nitric acid [(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxobutyl] ester IUPAC Name: [(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxobutyl] nitrate Traditional Name: nitric acid [(E)-2-acetyl-3-(4-methoxyphenyl)allyl] ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-9(14)11(8-18-13(15)16)7-10-3-5-12(17-2)6-4-10/h3-7H,8H2,1-2H3/b11-7+