8-nitro-7-oxidanylidene-6aH-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-nitro-7-oxidanylidene-6aH-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-nitro-7-oxo-6aH-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-nitro-7-oxo-6aH-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-nitro-7-oxo-6aH-1,10-phenanthroline-3-carboxylic acid Traditional Name: 7-keto-8-nitro-6aH-1,10-phenanthroline-3-carboxylic acid Formula: C13H7N3O5 MolecularWeight: 285.21178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CN=C2C3=NC=C(C(=O)C31)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=CC(=CN=C2C3=NC=C(C(=O)C31)[N+](=O)[O-])C(=O)O

InChI

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