(2-nitrophenyl)methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (2-nitrophenyl)methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid (2-nitrobenzyl) ester Formula: C16H17N3O5 MolecularWeight: 331.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-2-3-10-18-15(20)9-8-13(17-18)16(21)24-11-12-6-4-5-7-14(12)19(22)23/h4-9H,2-3,10-11H2,1H3