N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(4-nitrophenyl)acetamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-nitrophenyl)acetamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(4-nitrophenyl)acetamide Formula: C17H16N6O3 MolecularWeight: 352.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=N\NC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16N6O3/c1-12(11-22-16-5-3-2-4-15(16)19-21-22)18-20-17(24)10-13-6-8-14(9-7-13)23(25)26/h2-9H,10-11H2,1H3,(H,20,24)/b18-12+