[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic 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] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5/c24-19(23-14-3-5-17-18(11-14)27-9-1-8-26-17)12-28-20(25)13-2-4-15-16(10-13)22-7-6-21-15/h2-7,10-11H,1,8-9,12H2,(H,23,24)