[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O6/c1-3-15(4-2)22-19(24)12-28-20(25)13-5-8-16(9-6-13)29-18-10-7-14(21)11-17(18)23(26)27/h5-11,15H,3-4,12H2,1-2H3,(H,22,24)