(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)N=C(C1=O)C

InChI

InChI=1S/C21H19ClN2O5/c1-3-24-18-5-4-13(8-17(18)23-12(2)20(24)25)21(26)28-10-15-7-16(22)6-14-9-27-11-29-19(14)15/h4-8H,3,9-11H2,1-2H3