8-bromanyl-11-nitro-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylic acid

Systemtic Name: 8-bromanyl-11-nitro-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylic acid Openeye Name: 8-bromo-11-nitro-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylic acid CAS Name: 8-bromo-11-nitro-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid IUPAC Name: 8-bromo-11-nitro-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylic acid Traditional Name: 8-bromo-4-keto-11-nitro-pyrimid[2,1-a]isoquinoline-3-carboxylic acid Formula: C13H6BrN3O5 MolecularWeight: 364.10784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN3C(=NC=C(C3=O)C(=O)O)C2=C1[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C2C=CN3C(=NC=C(C3=O)C(=O)O)C2=C1[N+](=O)[O-])Br

InChI

InChI=1S/C13H6BrN3O5/c14-8-1-2-9(17(21)22)10-6(8)3-4-16-11(10)15-5-7(12(16)18)13(19)20/h1-5H,(H,19,20)