5-nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one Openeye Name: 5-nitro-2-(2-pyridylamino)cyclohepta-2,4,6-trien-1-one CAS Name: 5-nitro-2-(2-pyridinylamino)-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one Traditional Name: 5-nitro-2-(2-pyridylamino)cyclohepta-2,4,6-trien-1-one Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=CC=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NC2=CC=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3/c16-11-7-5-9(15(17)18)4-6-10(11)14-12-3-1-2-8-13-12/h1-8H,(H,13,14,16)