[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylate CAS Name: 5-(2-chloro-4-nitrophenyl)-2-furancarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O6/c21-16-12-14(23(26)27)6-7-15(16)17-8-9-18(29-17)20(25)28-13-19(24)22-10-4-2-1-3-5-11-22/h6-9,12H,1-5,10-11,13H2