ethyl 4-[3,4-bis(oxidanylidene)-2-(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)cyclobuten-1-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3,4-bis(oxidanylidene)-2-(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)cyclobuten-1-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3,4-dioxo-2-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobuten-1-yl]piperazine-1-carboxylate CAS Name: 4-[3,4-dioxo-2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-cyclobutenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,4-dioxo-2-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobuten-1-yl]piperazine-1-carboxylate Traditional Name: 4-[3,4-diketo-2-(3-keto-4H-1,4-benzoxazin-7-yl)cyclobuten-1-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)C3=CC4=C(C=C3)NC(=O)CO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)C3=CC4=C(C=C3)NC(=O)CO4

InChI

InChI=1S/C19H19N3O6/c1-2-27-19(26)22-7-5-21(6-8-22)16-15(17(24)18(16)25)11-3-4-12-13(9-11)28-10-14(23)20-12/h3-4,9H,2,5-8,10H2,1H3,(H,20,23)