4-[[N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidoyl]amino]benzoic acid

Systemtic Name: 4-[[N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidoyl]amino]benzoic acid Openeye Name: 4-[[N-cyano-N'-(1,2,2-trimethylpropyl)carbamimidoyl]amino]benzoic acid CAS Name: 4-[[(cyanoamino)-(3,3-dimethylbutan-2-ylimino)methyl]amino]benzoic acid IUPAC Name: 4-[[N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidoyl]amino]benzoic acid Traditional Name: 4-[[N-cyano-N'-(1,2,2-trimethylpropyl)amidino]amino]benzoic acid Formula: C15H20N4O2 MolecularWeight: 288.3449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H20N4O2/c1-10(15(2,3)4)18-14(17-9-16)19-12-7-5-11(6-8-12)13(20)21/h5-8,10H,1-4H3,(H,20,21)(H2,17,18,19)