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

Systemtic Name: ethanedioic acid; naphthalen-1-yl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone Openeye Name: 1-naphthyl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: 1-naphthalenyl-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: naphthalen-1-yl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: 1-naphthyl-[4-(3-nitrobenzyl)piperazino]methanone; oxalic acid Formula: C24H23N3O7 MolecularWeight: 465.45532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21N3O3.C2H2O4/c26-22(21-10-4-7-18-6-1-2-9-20(18)21)24-13-11-23(12-14-24)16-17-5-3-8-19(15-17)25(27)28;3-1(4)2(5)6/h1-10,15H,11-14,16H2;(H,3,4)(H,5,6)