ethyl 4-[4-[4-(hydroxymethyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl]-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(hydroxymethyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl]-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(6-keto-4-methylol-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N5O6 MolecularWeight: 405.40512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)CC3CO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)CC3CO)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O6/c1-2-29-18(26)22-7-5-21(6-8-22)14-4-3-12(9-15(14)23(27)28)17-13(11-24)10-16(25)19-20-17/h3-4,9,13,24H,2,5-8,10-11H2,1H3,(H,19,25)