(3,5-dinitrophenyl)-(4-ethylpiperazin-1-yl)methanone; ethanedioic acid

Systemtic Name: (3,5-dinitrophenyl)-(4-ethylpiperazin-1-yl)methanone; ethanedioic acid Openeye Name: (3,5-dinitrophenyl)-(4-ethylpiperazin-1-yl)methanone; oxalic acid CAS Name: (3,5-dinitrophenyl)-(4-ethyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: (3,5-dinitrophenyl)-(4-ethylpiperazin-1-yl)methanone; oxalic acid Traditional Name: (3,5-dinitrophenyl)-(4-ethylpiperazino)methanone; oxalic acid Formula: C15H18N4O9 MolecularWeight: 398.32482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16N4O5.C2H2O4/c1-2-14-3-5-15(6-4-14)13(18)10-7-11(16(19)20)9-12(8-10)17(21)22;3-1(4)2(5)6/h7-9H,2-6H2,1H3;(H,3,4)(H,5,6)