4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]amino]benzoic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]amino]benzoic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzoic acid Traditional Name: 4-[[2-keto-2-(piperonylamino)ethyl]amino]benzoic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H16N2O5/c20-16(9-18-13-4-2-12(3-5-13)17(21)22)19-8-11-1-6-14-15(7-11)24-10-23-14/h1-7,18H,8-10H2,(H,19,20)(H,21,22)