(N,N'-dicyclohexylcarbamimidoyl) 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) 6,8-dibromo-2-oxo-chromene-3-carboxylate CAS Name: 6,8-dibromo-2-oxo-1-benzopyran-3-carboxylic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) 6,8-dibromo-2-oxochromene-3-carboxylate Traditional Name: 6,8-dibromo-2-keto-chromene-3-carboxylic acid (N,N'-dicyclohexylamidino) ester Formula: C23H26Br2N2O4 MolecularWeight: 554.27154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br

InChI

InChI=1S/C23H26Br2N2O4/c24-15-11-14-12-18(21(28)30-20(14)19(25)13-15)22(29)31-23(26-16-7-3-1-4-8-16)27-17-9-5-2-6-10-17/h11-13,16-17H,1-10H2,(H,26,27)