6-isocyanato-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one

Systemtic Name: 6-isocyanato-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one Openeye Name: 6-isocyanato-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one CAS Name: 6-isocyanato-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one IUPAC Name: 6-isocyanato-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one Traditional Name: 6-isocyanato-4-propargyl-3H-1,4-benzoxazin-2-one Formula: C12H8N2O3 MolecularWeight: 228.20352

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC(=O)OC2=C1C=C(C=C2)N=C=O

Isomeric SMILES

C#CCN1CC(=O)OC2=C1C=C(C=C2)N=C=O

InChI

InChI=1S/C12H8N2O3/c1-2-5-14-7-12(16)17-11-4-3-9(13-8-15)6-10(11)14/h1,3-4,6H,5,7H2