carboxy-[[3-[(N'-prop-2-ynylcarbamimidoyl)amino]phenyl]methyl]carbamic acid

Systemtic Name: carboxy-[[3-[(N'-prop-2-ynylcarbamimidoyl)amino]phenyl]methyl]carbamic acid Openeye Name: carboxy-[[3-[(N'-prop-2-ynylcarbamimidoyl)amino]phenyl]methyl]carbamic acid CAS Name: [3-[[amino(prop-2-ynylimino)methyl]amino]phenyl]methyl-carboxycarbamic acid IUPAC Name: carboxy-[[3-[(N'-prop-2-ynylcarbamimidoyl)amino]phenyl]methyl]carbamic acid Traditional Name: carboxy-[3-[(N'-propargylamidino)amino]benzyl]carbamic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN=C(N)NC1=CC=CC(=C1)CN(C(=O)O)C(=O)O

Isomeric SMILES

C#CCN=C(N)NC1=CC=CC(=C1)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C13H14N4O4/c1-2-6-15-11(14)16-10-5-3-4-9(7-10)8-17(12(18)19)13(20)21/h1,3-5,7H,6,8H2,(H,18,19)(H,20,21)(H3,14,15,16)