ethyl 3-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-bromo-2-methyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-bromo-2-methylanilino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-bromo-2-methyl-phenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O5/c1-3-25-17(22)12-7-11(8-14(9-12)20(23)24)16(21)19-15-5-4-13(18)6-10(15)2/h4-9H,3H2,1-2H3,(H,19,21)