4-[[(E)-N,N'-bis(methoxycarbonyl)carbamimidoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-N,N'-bis(methoxycarbonyl)carbamimidoyl]amino]benzoic acid Openeye Name: 4-[[(E)-N,N'-bis(methoxycarbonyl)carbamimidoyl]amino]benzoic acid CAS Name: 4-[[(E)-(methoxycarbonylamino)-methoxycarbonyliminomethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-N,N'-bis(methoxycarbonyl)carbamimidoyl]amino]benzoic acid Traditional Name: 4-[[(E)-N,N'-dicarbomethoxyamidino]amino]benzoic acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=NC(=O)OC)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC(=O)N/C(=N/C(=O)OC)/NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H13N3O6/c1-20-11(18)14-10(15-12(19)21-2)13-8-5-3-7(4-6-8)9(16)17/h3-6H,1-2H3,(H,16,17)(H2,13,14,15,18,19)