(N,N'-dicyclohexylcarbamimidoyl) 6-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) 6-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) 6-nitro-2-oxo-chromene-3-carboxylate CAS Name: 6-nitro-2-oxo-1-benzopyran-3-carboxylic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) 6-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-nitro-chromene-3-carboxylic acid (N,N'-dicyclohexylamidino) ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H27N3O6/c27-21-19(14-15-13-18(26(29)30)11-12-20(15)31-21)22(28)32-23(24-16-7-3-1-4-8-16)25-17-9-5-2-6-10-17/h11-14,16-17H,1-10H2,(H,24,25)