ethyl 3-[(4-bromophenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-bromophenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-bromophenyl)methyl-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-bromobenzyl)-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H17BrN2O5 MolecularWeight: 421.24198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O5/c1-3-26-18(23)14-8-13(9-16(10-14)21(24)25)17(22)20(2)11-12-4-6-15(19)7-5-12/h4-10H,3,11H2,1-2H3