1-[2-(4-nitrophenyl)ethyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid

Systemtic Name: 1-[2-(4-nitrophenyl)ethyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid CAS Name: 1-[2-(4-nitrophenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid Traditional Name: 6-keto-1-[2-(4-nitrophenyl)ethyl]-4,5-dihydropyridazine-3-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)O)CCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)O)CCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c17-12-6-5-11(13(18)19)14-15(12)8-7-9-1-3-10(4-2-9)16(20)21/h1-4H,5-8H2,(H,18,19)