(E)-but-2-enedioic acid; 1-(diphenylmethyl)-4-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(diphenylmethyl)-4-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-benzhydryl-4-[(3-nitrophenyl)methyl]piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(diphenylmethyl)-4-[(3-nitrophenyl)methyl]piperazine IUPAC Name: 1-benzhydryl-4-[(3-nitrophenyl)methyl]piperazine; (E)-but-2-enedioic acid Traditional Name: 1-benzhydryl-4-(3-nitrobenzyl)piperazine; fumaric acid Formula: C28H29N3O6 MolecularWeight: 503.54636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H25N3O2.C4H4O4/c28-27(29)23-13-7-8-20(18-23)19-25-14-16-26(17-15-25)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;5-3(6)1-2-4(7)8/h1-13,18,24H,14-17,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+