methyl 3-[(N'-cyanocarbamimidoyl)-phenyl-amino]propanoate

Systemtic Name: methyl 3-[(N'-cyanocarbamimidoyl)-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(N'-cyanocarbamimidoyl)anilino)propanoate CAS Name: 3-(N-[amino(cyanoimino)methyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(N'-cyanocarbamimidoyl)anilino)propanoate Traditional Name: 3-(N-(N'-cyanoamidino)anilino)propionic acid methyl ester Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=C1)C(=NC#N)N

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=C1)C(=NC#N)N

InChI

InChI=1S/C12H14N4O2/c1-18-11(17)7-8-16(12(14)15-9-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15)