methyl 3-[1-(3-benzamidophenyl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1-(3-benzamidophenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[1-(3-benzamidophenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(3-benzamidophenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(3-benzamidophenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(3-benzamidophenyl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C24H21N3O6 MolecularWeight: 447.44004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C24H21N3O6/c1-15(17-9-6-10-20(12-17)26-22(28)16-7-4-3-5-8-16)25-23(29)18-11-19(24(30)33-2)14-21(13-18)27(31)32/h3-15H,1-2H3,(H,25,29)(H,26,28)