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

Systemtic Name: 8-nitro-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylic acid Openeye Name: 8-nitro-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylic acid CAS Name: 8-nitro-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid IUPAC Name: 8-nitro-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylic acid Traditional Name: 4-keto-8-nitro-pyrimid[2,1-a]isoquinoline-3-carboxylic acid Formula: C13H7N3O5 MolecularWeight: 285.21178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN3C2=NC=C(C3=O)C(=O)O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN3C2=NC=C(C3=O)C(=O)O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H7N3O5/c17-12-9(13(18)19)6-14-11-8-2-1-3-10(16(20)21)7(8)4-5-15(11)12/h1-6H,(H,18,19)