(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-methylpyrazine-2-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-methylpyrazine-2-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H15ClN2O4/c1-10-7-19-13(8-18-10)16(20)23-9-11-5-12(17)15-14(6-11)21-3-2-4-22-15/h5-8H,2-4,9H2,1H3