5-bromanyl-1-[(5-nitrothiophen-2-yl)methoxy]isoquinoline

Systemtic Name: 5-bromanyl-1-[(5-nitrothiophen-2-yl)methoxy]isoquinoline Openeye Name: 5-bromo-1-[(5-nitro-2-thienyl)methoxy]isoquinoline CAS Name: 5-bromo-1-[(5-nitro-2-thiophenyl)methoxy]isoquinoline IUPAC Name: 5-bromo-1-[(5-nitrothiophen-2-yl)methoxy]isoquinoline Traditional Name: 5-bromo-1-[(5-nitro-2-thienyl)methoxy]isoquinoline Formula: C14H9BrN2O3S MolecularWeight: 365.20186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2OCC3=CC=C(S3)[N+](=O)[O-])C(=C1)Br

Isomeric SMILES

C1=CC2=C(C=CN=C2OCC3=CC=C(S3)[N+](=O)[O-])C(=C1)Br

InChI

InChI=1S/C14H9BrN2O3S/c15-12-3-1-2-11-10(12)6-7-16-14(11)20-8-9-4-5-13(21-9)17(18)19/h1-7H,8H2