(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl)OC1

InChI

InChI=1S/C18H14ClN3O5/c19-13-8-11(9-15-16(13)26-7-3-6-25-15)18(24)27-10-22-17(23)12-4-1-2-5-14(12)20-21-22/h1-2,4-5,8-9H,3,6-7,10H2