4-[[2-(methylamino)prop-2-enoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(methylamino)prop-2-enoylamino]methyl]benzoic acid Openeye Name: 4-[[2-(methylamino)prop-2-enoylamino]methyl]benzoic acid CAS Name: 4-[[[2-(methylamino)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[2-(methylamino)prop-2-enoylamino]methyl]benzoic acid Traditional Name: 4-[[[2-(methylamino)acryloyl]amino]methyl]benzoic acid Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C)C(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CNC(=C)C(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H14N2O3/c1-8(13-2)11(15)14-7-9-3-5-10(6-4-9)12(16)17/h3-6,13H,1,7H2,2H3,(H,14,15)(H,16,17)