[(4-chlorophenyl)carbonylamino] 3-(4-bromanyl-2-nitro-phenyl)propanoate

Systemtic Name: [(4-chlorophenyl)carbonylamino] 3-(4-bromanyl-2-nitro-phenyl)propanoate Openeye Name: [(4-chlorobenzoyl)amino] 3-(4-bromo-2-nitro-phenyl)propanoate CAS Name: 3-(4-bromo-2-nitrophenyl)propanoic acid [[(4-chlorophenyl)-oxomethyl]amino] ester IUPAC Name: [(4-chlorobenzoyl)amino] 3-(4-bromo-2-nitrophenyl)propanoate Traditional Name: 3-(4-bromo-2-nitro-phenyl)propionic acid [(4-chlorobenzoyl)amino] ester Formula: C16H12BrClN2O5 MolecularWeight: 427.63388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NOC(=O)CCC2=C(C=C(C=C2)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NOC(=O)CCC2=C(C=C(C=C2)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12BrClN2O5/c17-12-5-1-10(14(9-12)20(23)24)4-8-15(21)25-19-16(22)11-2-6-13(18)7-3-11/h1-3,5-7,9H,4,8H2,(H,19,22)