ethyl 4-[2-nitro-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-nitro-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(6-keto-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3CC=NNC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3CC=NNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5/c1-2-27-17(24)21-9-7-20(8-10-21)14-4-3-12(11-15(14)22(25)26)13-5-6-18-19-16(13)23/h3-4,6,11,13H,2,5,7-10H2,1H3,(H,19,23)