N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H11BrN6O3 MolecularWeight: 367.15814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C=NC(=N1)[N+](=O)[O-])C2=CC=C(C=C2)Br

Isomeric SMILES

C/C(=N\NC(=O)CN1C=NC(=N1)[N+](=O)[O-])/C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H11BrN6O3/c1-8(9-2-4-10(13)5-3-9)15-16-11(20)6-18-7-14-12(17-18)19(21)22/h2-5,7H,6H2,1H3,(H,16,20)/b15-8+