ethyl 4-[2-(3-nitrophenyl)-3-oxidanylidene-4,5-dihydropyridazin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-nitrophenyl)-3-oxidanylidene-4,5-dihydropyridazin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-nitrophenyl)-3-oxo-4,5-dihydropyridazin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(3-nitrophenyl)-3-oxo-4,5-dihydropyridazin-4-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-nitrophenyl)-3-oxo-4,5-dihydropyridazin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[3-keto-2-(3-nitrophenyl)-4,5-dihydropyridazin-4-yl]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)C2CC=NN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CC=NN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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