methyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(piperonylamino)acetyl]amino]benzoic acid methyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16N2O6/c1-24-18(23)12-3-5-13(6-4-12)20-17(22)16(21)19-9-11-2-7-14-15(8-11)26-10-25-14/h2-8H,9-10H2,1H3,(H,19,21)(H,20,22)