[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3O)OC1

InChI

InChI=1S/C22H19NO6/c24-18-11-15-5-2-1-4-14(15)10-17(18)22(26)29-13-21(25)23-16-6-7-19-20(12-16)28-9-3-8-27-19/h1-2,4-7,10-12,24H,3,8-9,13H2,(H,23,25)