[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O5/c1-21(2)16-11-10-14(12-17(16)22(25)26)19(24)27-13-18(23)20-15-8-6-4-3-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,20,23)