[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl 4-methyl-3-(propanoylamino)benzoate

Systemtic Name: [4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl 4-methyl-3-(propanoylamino)benzoate Openeye Name: [4-(2-chloro-6-nitro-phenoxy)phenyl]methyl 4-methyl-3-(propanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopropylamino)benzoic acid [4-(2-chloro-6-nitrophenoxy)phenyl]methyl ester IUPAC Name: [4-(2-chloro-6-nitrophenoxy)phenyl]methyl 4-methyl-3-(propanoylamino)benzoate Traditional Name: 4-methyl-3-propionamido-benzoic acid [4-(2-chloro-6-nitro-phenoxy)benzyl] ester Formula: C24H21ClN2O6 MolecularWeight: 468.88634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-])C

InChI

InChI=1S/C24H21ClN2O6/c1-3-22(28)26-20-13-17(10-7-15(20)2)24(29)32-14-16-8-11-18(12-9-16)33-23-19(25)5-4-6-21(23)27(30)31/h4-13H,3,14H2,1-2H3,(H,26,28)