5-bromanyl-3-nitro-1-prop-2-enyl-1,2,4-triazole

Systemtic Name: 5-bromanyl-3-nitro-1-prop-2-enyl-1,2,4-triazole Openeye Name: 1-allyl-5-bromo-3-nitro-1,2,4-triazole CAS Name: 5-bromo-3-nitro-1-prop-2-enyl-1,2,4-triazole IUPAC Name: 5-bromo-3-nitro-1-prop-2-enyl-1,2,4-triazole Traditional Name: 1-allyl-5-bromo-3-nitro-1,2,4-triazole Formula: C5H5BrN4O2 MolecularWeight: 233.0228

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC(=N1)[N+](=O)[O-])Br

Isomeric SMILES

C=CCN1C(=NC(=N1)[N+](=O)[O-])Br

InChI

InChI=1S/C5H5BrN4O2/c1-2-3-9-4(6)7-5(8-9)10(11)12/h2H,1,3H2