[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O6/c22-15(13-6-7-16-17(10-13)27-12-26-16)11-25-18(23)8-9-20-19(24)21-14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2,(H2,20,21,24)