6-bromanyl-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-4-prop-2-ynyl-1,2,4-triazine-3,5-dione

Systemtic Name: 6-bromanyl-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-4-prop-2-ynyl-1,2,4-triazine-3,5-dione Openeye Name: 6-bromo-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-4-prop-2-ynyl-1,2,4-triazine-3,5-dione CAS Name: 6-bromo-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-4-prop-2-ynyl-1,2,4-triazine-3,5-dione IUPAC Name: 6-bromo-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-4-prop-2-ynyl-1,2,4-triazine-3,5-dione Traditional Name: 6-bromo-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-4-propargyl-1,2,4-triazine-3,5-quinone Formula: C14H19BrN3O5P MolecularWeight: 420.195521

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC=CCN1C(=O)N(C(=O)C(=N1)Br)CC#C)OCC

Isomeric SMILES

CCOP(=O)(C/C=C/CN1C(=O)N(C(=O)C(=N1)Br)CC#C)OCC

InChI

InChI=1S/C14H19BrN3O5P/c1-4-9-17-13(19)12(15)16-18(14(17)20)10-7-8-11-24(21,22-5-2)23-6-3/h1,7-8H,5-6,9-11H2,2-3H3/b8-7+