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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic 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-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C15H15ClN2O5 MolecularWeight: 338.743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)N

InChI

InChI=1S/C15H15ClN2O5/c1-8-12(14(17)23-18-8)15(19)22-7-9-5-10(16)13-11(6-9)20-3-2-4-21-13/h5-6H,2-4,7,17H2,1H3