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

Systemtic Name: methyl 3-[(N-isocyano-N'-methyl-carbamimidoyl)amino]benzoate Openeye Name: methyl 3-[(N-isocyano-N'-methyl-carbamimidoyl)amino]benzoate CAS Name: 3-[[(isocyanoamino)-methyliminomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(N-isocyano-N'-methylcarbamimidoyl)amino]benzoate Traditional Name: 3-[(N-isocyano-N'-methyl-amidino)amino]benzoic acid methyl ester Formula: C11H12N4O2 MolecularWeight: 232.23858

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC=CC(=C1)C(=O)OC)N[N+]#[C-]

Isomeric SMILES

CN=C(NC1=CC=CC(=C1)C(=O)OC)N[N+]#[C-]

InChI

InChI=1S/C11H12N4O2/c1-12-11(15-13-2)14-9-6-4-5-8(7-9)10(16)17-3/h4-7H,1,3H3,(H2,12,14,15)