(4-aminocarbonyl-2-nitro-phenyl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-(3-chlorophenyl)cyclohexanecarboxylate CAS Name: 1-(3-chlorophenyl)-1-cyclohexanecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-chlorophenyl)cyclohexanecarboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN2O5/c22-17-6-4-5-16(12-17)21(9-2-1-3-10-21)20(26)29-13-15-8-7-14(19(23)25)11-18(15)24(27)28/h4-8,11-12H,1-3,9-10,13H2,(H2,23,25)