(Z)-2-[1-azanyl-2-(6-bromanyl-2,3-dihydroindol-1-yl)ethyl]but-2-enedioic acid

Systemtic Name: (Z)-2-[1-azanyl-2-(6-bromanyl-2,3-dihydroindol-1-yl)ethyl]but-2-enedioic acid Openeye Name: (Z)-2-[1-amino-2-(6-bromoindolin-1-yl)ethyl]but-2-enedioic acid CAS Name: (Z)-2-[1-amino-2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]-2-butenedioic acid IUPAC Name: (Z)-2-[1-amino-2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]but-2-enedioic acid Traditional Name: (Z)-2-[1-amino-2-(6-bromoindolin-1-yl)ethyl]but-2-enedioic acid Formula: C14H15BrN2O4 MolecularWeight: 355.1839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)Br)CC(C(=CC(=O)O)C(=O)O)N

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)Br)CC(/C(=C/C(=O)O)/C(=O)O)N

InChI

InChI=1S/C14H15BrN2O4/c15-9-2-1-8-3-4-17(12(8)5-9)7-11(16)10(14(20)21)6-13(18)19/h1-2,5-6,11H,3-4,7,16H2,(H,18,19)(H,20,21)/b10-6-