1-methyl-4-[(3-nitrophenyl)methylidene]-3,6-bis(phenylmethyl)piperazin-4-ium-2,5-dione

Systemtic Name: 1-methyl-4-[(3-nitrophenyl)methylidene]-3,6-bis(phenylmethyl)piperazin-4-ium-2,5-dione Openeye Name: 3,6-dibenzyl-1-methyl-4-[(3-nitrophenyl)methylene]piperazin-4-ium-2,5-dione CAS Name: 1-methyl-4-[(3-nitrophenyl)methylidene]-3,6-bis(phenylmethyl)piperazin-4-ium-2,5-dione IUPAC Name: 3,6-dibenzyl-1-methyl-4-[(3-nitrophenyl)methylidene]piperazin-4-ium-2,5-dione Traditional Name: 3,6-dibenzyl-1-methyl-4-(3-nitrobenzylidene)piperazin-4-ium-2,5-quinone Formula: C26H24N3O4+ MolecularWeight: 442.48646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)[N+](=CC2=CC(=CC=C2)[N+](=O)[O-])C(C1=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(C(=O)[N+](=CC2=CC(=CC=C2)[N+](=O)[O-])C(C1=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N3O4/c1-27-23(16-19-9-4-2-5-10-19)26(31)28(18-21-13-8-14-22(15-21)29(32)33)24(25(27)30)17-20-11-6-3-7-12-20/h2-15,18,23-24H,16-17H2,1H3/q+1