methyl 3-[[N-isocyano-N'-(phenylmethyl)carbamimidoyl]amino]benzoate

Systemtic Name: methyl 3-[[N-isocyano-N'-(phenylmethyl)carbamimidoyl]amino]benzoate Openeye Name: methyl 3-[(N'-benzyl-N-isocyano-carbamimidoyl)amino]benzoate CAS Name: 3-[[(isocyanoamino)-(phenylmethyl)iminomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-benzyl-N-isocyanocarbamimidoyl)amino]benzoate Traditional Name: 3-[(N'-benzyl-N-isocyano-amidino)amino]benzoic acid methyl ester Formula: C17H16N4O2 MolecularWeight: 308.33454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=NCC2=CC=CC=C2)N[N+]#[C-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=NCC2=CC=CC=C2)N[N+]#[C-]

InChI

InChI=1S/C17H16N4O2/c1-18-21-17(19-12-13-7-4-3-5-8-13)20-15-10-6-9-14(11-15)16(22)23-2/h3-11H,12H2,2H3,(H2,19,20,21)