2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-pyridazine-3,6-dione CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[[4-(4-nitrophenyl)piperazino]methyl]-1H-pyridazine-3,6-quinone Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C=CC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=O)C=CC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4/c21-14-5-6-15(22)19(16-14)11-17-7-9-18(10-8-17)12-1-3-13(4-2-12)20(23)24/h1-6H,7-11H2,(H,16,21)