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

Systemtic Name: 4-[[4-azanyl-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one Openeye Name: 4-[[4-amino-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one CAS Name: 4-[[4-amino-2-(2-phenylethynyl)-1-cyclohexa-1,3-dienyl]oxymethyl]-1,3-dioxolan-2-one IUPAC Name: 4-[[4-amino-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one Traditional Name: 4-[[4-amino-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3-dioxolan-2-one Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1N)C#CC2=CC=CC=C2)OCC3COC(=O)O3

Isomeric SMILES

C1CC(=C(C=C1N)C#CC2=CC=CC=C2)OCC3COC(=O)O3

InChI

InChI=1S/C18H17NO4/c19-15-8-9-17(21-11-16-12-22-18(20)23-16)14(10-15)7-6-13-4-2-1-3-5-13/h1-5,10,16H,8-9,11-12,19H2