(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-azanylpyrazine-2-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-azanylpyrazine-2-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C14H12BrN3O4 MolecularWeight: 366.16678

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C14H12BrN3O4/c15-9-6-11-10(20-3-4-21-11)5-8(9)7-22-14(19)12-13(16)18-2-1-17-12/h1-2,5-6H,3-4,7H2,(H2,16,18)