4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-butanoate Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoate IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-keto-butyrate Formula: C13H14NO5- MolecularWeight: 264.25396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c15-12(4-5-13(16)17)14-9-2-3-10-11(8-9)19-7-1-6-18-10/h2-3,8H,1,4-7H2,(H,14,15)(H,16,17)/p-1