N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-cyano-ethanamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-cyano-ethanamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-cyano-acetamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-2-cyanoacetamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-cyanoacetamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-cyano-acetamide Formula: C12H12N6O MolecularWeight: 256.26328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC#N)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

C/C(=N\NC(=O)CC#N)/CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H12N6O/c1-9(14-16-12(19)6-7-13)8-18-11-5-3-2-4-10(11)15-17-18/h2-5H,6,8H2,1H3,(H,16,19)/b14-9+