2-[(E)-N-[(E)-N'-methoxycarbonylcarbamimidoyl]-C-methyl-carbonimidoyl]benzoic acid

Systemtic Name: 2-[(E)-N-[(E)-N'-methoxycarbonylcarbamimidoyl]-C-methyl-carbonimidoyl]benzoic acid Openeye Name: 2-[(E)-N-[(E)-N'-methoxycarbonylcarbamimidoyl]-C-methyl-carbonimidoyl]benzoic acid CAS Name: 2-[(1E)-1-[(E)-amino(methoxycarbonylimino)methyl]iminoethyl]benzoic acid IUPAC Name: 2-[(E)-N-[(E)-N'-methoxycarbonylcarbamimidoyl]-C-methylcarbonimidoyl]benzoic acid Traditional Name: 2-[(E)-N-[(E)-N'-carbomethoxyamidino]-C-methyl-carbonimidoyl]benzoic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(=NC(=O)OC)N)C1=CC=CC=C1C(=O)O

Isomeric SMILES

C/C(=N\C(=N\C(=O)OC)\N)/C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H13N3O4/c1-7(14-11(13)15-12(18)19-2)8-5-3-4-6-9(8)10(16)17/h3-6H,1-2H3,(H,16,17)(H2,13,15,18)/b14-7+