4-tert-butyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide

Systemtic Name: 4-tert-butyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Openeye Name: 4-tert-butyl-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide CAS Name: 4-tert-butyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide IUPAC Name: 4-tert-butyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 4-tert-butyl-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)C(C)(C)C)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)C(C)(C)C)/CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c1-11(9-21-10-17-15(20-21)22(24)25)18-19-14(23)12-5-7-13(8-6-12)16(2,3)4/h5-8,10H,9H2,1-4H3,(H,19,23)/b18-11+