ethyl 4-[2-azanyl-4,6-bis(bromanyl)phenyl]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: ethyl 4-[2-azanyl-4,6-bis(bromanyl)phenyl]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: ethyl 4-(2-amino-4,6-dibromo-phenyl)-2-(benzyloxycarbonylamino)-4-oxo-butanoate CAS Name: 4-(2-amino-4,6-dibromophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-4,6-dibromophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(2-amino-4,6-dibromo-phenyl)-2-(benzyloxycarbonylamino)-4-keto-butyric acid ethyl ester Formula: C20H20Br2N2O5 MolecularWeight: 528.1912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=C(C=C(C=C1N)Br)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=C(C=C(C=C1N)Br)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H20Br2N2O5/c1-2-28-19(26)16(24-20(27)29-11-12-6-4-3-5-7-12)10-17(25)18-14(22)8-13(21)9-15(18)23/h3-9,16H,2,10-11,23H2,1H3,(H,24,27)