1,3-benzodioxol-5-yl(isocyanato)methanone

Systemtic Name: 1,3-benzodioxol-5-yl(isocyanato)methanone Openeye Name: 1,3-benzodioxole-5-carbonyl isocyanate CAS Name: 1,3-benzodioxol-5-yl(isocyanato)methanone IUPAC Name: 1,3-benzodioxole-5-carbonyl isocyanate Traditional Name: 1,3-benzodioxol-5-yl(isocyanato)methanone Formula: C9H5NO4 MolecularWeight: 191.1403

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N=C=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N=C=O

InChI

InChI=1S/C9H5NO4/c11-4-10-9(12)6-1-2-7-8(3-6)14-5-13-7/h1-3H,5H2