methyl 3-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-bromo-3-methyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-bromo-3-methylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-3-methylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-bromo-3-methyl-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)Br

InChI

InChI=1S/C16H13BrN2O5/c1-9-5-12(3-4-14(9)17)18-15(20)10-6-11(16(21)24-2)8-13(7-10)19(22)23/h3-8H,1-2H3,(H,18,20)