2H-benzotriazol-5-ylcarbamoyloxymethyl 2-isocyanoprop-2-enoate

Systemtic Name: 2H-benzotriazol-5-ylcarbamoyloxymethyl 2-isocyanoprop-2-enoate Openeye Name: 2H-benzotriazol-5-ylcarbamoyloxymethyl 2-isocyanoprop-2-enoate CAS Name: 2-isocyano-2-propenoic acid [(2H-benzotriazol-5-ylamino)-oxomethoxy]methyl ester IUPAC Name: 2H-benzotriazol-5-ylcarbamoyloxymethyl 2-isocyanoprop-2-enoate Traditional Name: 2-isocyanoacrylic acid 2H-benzotriazol-5-ylcarbamoyloxymethyl ester Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)OCOC(=O)NC1=CC2=NNN=C2C=C1)[N+]#[C-]

Isomeric SMILES

C=C(C(=O)OCOC(=O)NC1=CC2=NNN=C2C=C1)[N+]#[C-]

InChI

InChI=1S/C12H9N5O4/c1-7(13-2)11(18)20-6-21-12(19)14-8-3-4-9-10(5-8)16-17-15-9/h3-5H,1,6H2,(H,14,19)(H,15,16,17)