dimethyl (E,4Z)-2-bromanyl-4-[(1-phenylethylamino)methylidene]pent-2-enedioate

Systemtic Name: dimethyl (E,4Z)-2-bromanyl-4-[(1-phenylethylamino)methylidene]pent-2-enedioate Openeye Name: dimethyl (E,4Z)-2-bromo-4-[(1-phenylethylamino)methylene]pent-2-enedioate CAS Name: (E,4Z)-2-bromo-4-[(1-phenylethylamino)methylidene]-2-pentenedioic acid dimethyl ester IUPAC Name: dimethyl (E,4Z)-2-bromo-4-[(1-phenylethylamino)methylidene]pent-2-enedioate Traditional Name: (E,4Z)-2-bromo-4-[(1-phenylethylamino)methylene]pent-2-enedioic acid dimethyl ester Formula: C16H18BrNO4 MolecularWeight: 368.22242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC=C(C=C(C(=O)OC)Br)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)N/C=C(/C=C(\C(=O)OC)/Br)\C(=O)OC

InChI

InChI=1S/C16H18BrNO4/c1-11(12-7-5-4-6-8-12)18-10-13(15(19)21-2)9-14(17)16(20)22-3/h4-11,18H,1-3H3/b13-10-,14-9+