4-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one

Systemtic Name: 4-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one Openeye Name: 4-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one CAS Name: 4-[[4-nitro-2-(2-phenylethynyl)-1-cyclohexa-1,3-dienyl]oxymethyl]-1,3-dioxolan-2-one IUPAC Name: 4-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one Traditional Name: 4-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1[N+](=O)[O-])C#CC2=CC=CC=C2)OCC3COC(=O)O3

Isomeric SMILES

C1CC(=C(C=C1[N+](=O)[O-])C#CC2=CC=CC=C2)OCC3COC(=O)O3

InChI

InChI=1S/C18H15NO6/c20-18-24-12-16(25-18)11-23-17-9-8-15(19(21)22)10-14(17)7-6-13-4-2-1-3-5-13/h1-5,10,16H,8-9,11-12H2