7-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(4-oxido-4-oxo-butanoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[(4-oxido-1,4-dioxobutyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(4-oxido-4-oxobutanoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[(4-keto-4-oxido-butanoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C14H13NO7-2 MolecularWeight: 307.25552

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)CCC(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)CCC(=O)[O-])OC1

InChI

InChI=1S/C14H15NO7/c16-12(2-3-13(17)18)15-9-7-11-10(6-8(9)14(19)20)21-4-1-5-22-11/h6-7H,1-5H2,(H,15,16)(H,17,18)(H,19,20)/p-2