ethanedioic acid; furan-2-yl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; furan-2-yl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: 2-furanyl-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: furan-2-yl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: 2-furyl-[4-(3-nitrobenzyl)piperazino]methanone; oxalic acid Formula: C18H19N3O8 MolecularWeight: 405.35876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17N3O4.C2H2O4/c20-16(15-5-2-10-23-15)18-8-6-17(7-9-18)12-13-3-1-4-14(11-13)19(21)22;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6)