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

Systemtic Name: ethyl 4-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3C(C=NNC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3C(C=NNC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5/c1-3-28-18(25)22-8-6-21(7-9-22)14-5-4-13(10-15(14)23(26)27)16-12(2)11-19-20-17(16)24/h4-5,10-12,16H,3,6-9H2,1-2H3,(H,20,24)