3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)propanoate

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)propanoate Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)propanoate CAS Name: 3-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]amino]propanoate IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)propanoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)propionate Formula: C13H15N2O5- MolecularWeight: 279.2686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c16-12(17)4-5-14-13(18)15-9-2-3-10-11(8-9)20-7-1-6-19-10/h2-3,8H,1,4-7H2,(H,16,17)(H2,14,15,18)/p-1