(Z)-3-[(4-bromanyl-3-phenylmethoxy-phenyl)amino]but-2-enoic acid

Systemtic Name: (Z)-3-[(4-bromanyl-3-phenylmethoxy-phenyl)amino]but-2-enoic acid Openeye Name: (Z)-3-(3-benzyloxy-4-bromo-anilino)but-2-enoic acid CAS Name: (Z)-3-(4-bromo-3-phenylmethoxyanilino)-2-butenoic acid IUPAC Name: (Z)-3-(4-bromo-3-phenylmethoxyanilino)but-2-enoic acid Traditional Name: (Z)-3-(3-benzoxy-4-bromo-anilino)but-2-enoic acid Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)NC1=CC(=C(C=C1)Br)OCC2=CC=CC=C2

Isomeric SMILES

C/C(=C/C(=O)O)/NC1=CC(=C(C=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16BrNO3/c1-12(9-17(20)21)19-14-7-8-15(18)16(10-14)22-11-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,20,21)/b12-9-