(N,N'-dicyclohexylcarbamimidoyl) 4-nitrobenzoate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) 4-nitrobenzoate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (N,N'-dicyclohexylamidino) ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c24-19(15-11-13-18(14-12-15)23(25)26)27-20(21-16-7-3-1-4-8-16)22-17-9-5-2-6-10-17/h11-14,16-17H,1-10H2,(H,21,22)