(4-aminocarbonyl-2-nitro-phenyl)methyl 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H16N4O6 MolecularWeight: 360.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6/c1-2-7-19-14(21)6-5-12(18-19)16(23)26-9-11-4-3-10(15(17)22)8-13(11)20(24)25/h3-6,8H,2,7,9H2,1H3,(H2,17,22)