2H-benzotriazol-4-yl N-butyl-N-[(2-isocyanoprop-2-enoylamino)methyl]carbamate

Systemtic Name: 2H-benzotriazol-4-yl N-butyl-N-[(2-isocyanoprop-2-enoylamino)methyl]carbamate Openeye Name: 2H-benzotriazol-4-yl N-butyl-N-[(2-isocyanoprop-2-enoylamino)methyl]carbamate CAS Name: N-butyl-N-[[(2-isocyano-1-oxoprop-2-enyl)amino]methyl]carbamic acid 2H-benzotriazol-4-yl ester IUPAC Name: 2H-benzotriazol-4-yl N-butyl-N-[(2-isocyanoprop-2-enoylamino)methyl]carbamate Traditional Name: N-butyl-N-[[(2-isocyanoacryloyl)amino]methyl]carbamic acid 2H-benzotriazol-4-yl ester Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CNC(=O)C(=C)[N+]#[C-])C(=O)OC1=CC=CC2=NNN=C21

Isomeric SMILES

CCCCN(CNC(=O)C(=C)[N+]#[C-])C(=O)OC1=CC=CC2=NNN=C21

InChI

InChI=1S/C16H18N6O3/c1-4-5-9-22(10-18-15(23)11(2)17-3)16(24)25-13-8-6-7-12-14(13)20-21-19-12/h6-8H,2,4-5,9-10H2,1H3,(H,18,23)(H,19,20,21)