2-(benzotriazol-1-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]acetamide Formula: C13H10N6O3S MolecularWeight: 330.3219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=O)NN=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)N/N=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O3S/c20-12(8-18-11-4-2-1-3-10(11)15-17-18)16-14-7-9-5-6-13(23-9)19(21)22/h1-7H,8H2,(H,16,20)/b14-7+