ethyl 3-[[1-(4-chlorophenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[1-(4-chlorophenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[1-(4-chlorophenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(4-chlorophenyl)-2-methylpropyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(4-chlorophenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C2=CC=C(C=C2)Cl)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C2=CC=C(C=C2)Cl)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O5/c1-4-28-20(25)15-9-14(10-17(11-15)23(26)27)19(24)22-18(12(2)3)13-5-7-16(21)8-6-13/h5-12,18H,4H2,1-3H3,(H,22,24)