[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C16H15N3O5/c20-15(10-23-16(21)12-8-17-5-6-18-12)19-7-11-9-22-13-3-1-2-4-14(13)24-11/h1-6,8,11H,7,9-10H2,(H,19,20)/t11-/m1/s1