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

Systemtic Name: (Z)-2-[1-azanyl-2-(6-bromanyl-2,3-dihydroindol-1-yl)ethyl]but-2-enedioate Openeye Name: (Z)-2-[1-amino-2-(6-bromoindolin-1-yl)ethyl]but-2-enedioate CAS Name: (Z)-2-[1-amino-2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]-2-butenedioate IUPAC Name: (Z)-2-[1-amino-2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]but-2-enedioate Traditional Name: (Z)-2-[1-amino-2-(6-bromoindolin-1-yl)ethyl]but-2-enedioate Formula: C14H13BrN2O4-2 MolecularWeight: 353.16802

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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)/p-2/b10-6-