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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-oxidanylidene-2-phenylazanyl-furan-3-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-anilino-4-oxo-furan-3-carboxylate CAS Name: 2-anilino-4-oxo-3-furancarboxylic 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 2-anilino-4-oxofuran-3-carboxylate Traditional Name: 2-anilino-4-keto-furan-3-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=C(OCC3=O)NC4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=C(OCC3=O)NC4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C21H18ClNO6/c22-15-9-13(10-17-19(15)27-8-4-7-26-17)11-29-21(25)18-16(24)12-28-20(18)23-14-5-2-1-3-6-14/h1-3,5-6,9-10,23H,4,7-8,11-12H2