[(E)-4-(3-oxidanylidene-1,2-dihydroinden-2-yl)but-2-enyl] nitrate

Systemtic Name: [(E)-4-(3-oxidanylidene-1,2-dihydroinden-2-yl)but-2-enyl] nitrate Openeye Name: [(E)-4-(1-oxoindan-2-yl)but-2-enyl] nitrate CAS Name: nitric acid [(E)-4-(3-oxo-1,2-dihydroinden-2-yl)but-2-enyl] ester IUPAC Name: [(E)-4-(3-oxo-1,2-dihydroinden-2-yl)but-2-enyl] nitrate Traditional Name: nitric acid [(E)-4-(1-ketoindan-2-yl)but-2-enyl] ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C21)CC=CCO[N+](=O)[O-]

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C21)C/C=C/CO[N+](=O)[O-]

InChI

InChI=1S/C13H13NO4/c15-13-11(6-3-4-8-18-14(16)17)9-10-5-1-2-7-12(10)13/h1-5,7,11H,6,8-9H2/b4-3+