(Z)-2-[1-azanyl-2-(6-bromanylindol-1-yl)ethyl]but-2-enedioic acid

Systemtic Name: (Z)-2-[1-azanyl-2-(6-bromanylindol-1-yl)ethyl]but-2-enedioic acid Openeye Name: (Z)-2-[1-amino-2-(6-bromoindol-1-yl)ethyl]but-2-enedioic acid CAS Name: (Z)-2-[1-amino-2-(6-bromo-1-indolyl)ethyl]-2-butenedioic acid IUPAC Name: (Z)-2-[1-amino-2-(6-bromoindol-1-yl)ethyl]but-2-enedioic acid Traditional Name: (Z)-2-[1-amino-2-(6-bromoindol-1-yl)ethyl]but-2-enedioic acid Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2CC(C(=CC(=O)O)C(=O)O)N)Br

Isomeric SMILES

C1=CC(=CC2=C1C=CN2CC(/C(=C/C(=O)O)/C(=O)O)N)Br

InChI

InChI=1S/C14H13BrN2O4/c15-9-2-1-8-3-4-17(12(8)5-9)7-11(16)10(14(20)21)6-13(18)19/h1-6,11H,7,16H2,(H,18,19)(H,20,21)/b10-6-