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

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(4-nitrophenoxy)acetamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(4-nitrophenoxy)acetamide Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-])CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=N\NC(=O)COC1=CC=C(C=C1)[N+](=O)[O-])/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16N6O4/c1-12(10-22-16-5-3-2-4-15(16)19-21-22)18-20-17(24)11-27-14-8-6-13(7-9-14)23(25)26/h2-9H,10-11H2,1H3,(H,20,24)/b18-12+