4-azanyl-5-nitro-2-(phenylmethoxymethyl)pyridazin-3-one

Systemtic Name: 4-azanyl-5-nitro-2-(phenylmethoxymethyl)pyridazin-3-one Openeye Name: 4-amino-2-(benzyloxymethyl)-5-nitro-pyridazin-3-one CAS Name: 4-amino-5-nitro-2-(phenylmethoxymethyl)-3-pyridazinone IUPAC Name: 4-amino-5-nitro-2-(phenylmethoxymethyl)pyridazin-3-one Traditional Name: 4-amino-2-(benzoxymethyl)-5-nitro-pyridazin-3-one Formula: C12H12N4O4 MolecularWeight: 276.24808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C(=O)C(=C(C=N2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COCN2C(=O)C(=C(C=N2)[N+](=O)[O-])N

InChI

InChI=1S/C12H12N4O4/c13-11-10(16(18)19)6-14-15(12(11)17)8-20-7-9-4-2-1-3-5-9/h1-6H,7-8,13H2