4-[(1,3-benzodioxol-5-ylcarbamoylamino)methyl]benzoic acid

Systemtic Name: 4-[(1,3-benzodioxol-5-ylcarbamoylamino)methyl]benzoic acid Openeye Name: 4-[(1,3-benzodioxol-5-ylcarbamoylamino)methyl]benzoic acid CAS Name: 4-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[(1,3-benzodioxol-5-ylcarbamoylamino)methyl]benzoic acid Traditional Name: 4-[(1,3-benzodioxol-5-ylcarbamoylamino)methyl]benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N2O5/c19-15(20)11-3-1-10(2-4-11)8-17-16(21)18-12-5-6-13-14(7-12)23-9-22-13/h1-7H,8-9H2,(H,19,20)(H2,17,18,21)