3-[1-(6-bromanyl-1,3-benzodioxol-5-yl)but-3-ynyl]-5-nitro-1H-indole

Systemtic Name: 3-[1-(6-bromanyl-1,3-benzodioxol-5-yl)but-3-ynyl]-5-nitro-1H-indole Openeye Name: 3-[1-(6-bromo-1,3-benzodioxol-5-yl)but-3-ynyl]-5-nitro-1H-indole CAS Name: 3-[1-(6-bromo-1,3-benzodioxol-5-yl)but-3-ynyl]-5-nitro-1H-indole IUPAC Name: 3-[1-(6-bromo-1,3-benzodioxol-5-yl)but-3-ynyl]-5-nitro-1H-indole Traditional Name: 3-[1-(6-bromo-1,3-benzodioxol-5-yl)but-3-ynyl]-5-nitro-1H-indole Formula: C19H13BrN2O4 MolecularWeight: 413.22152

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC2=C(C=C1Br)OCO2)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C#CCC(C1=CC2=C(C=C1Br)OCO2)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13BrN2O4/c1-2-3-12(13-7-18-19(8-16(13)20)26-10-25-18)15-9-21-17-5-4-11(22(23)24)6-14(15)17/h1,4-9,12,21H,3,10H2