4-butyl-4-[(2-nitrophenyl)methyl]-1,2-diphenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-butyl-4-[(2-nitrophenyl)methyl]-1,2-diphenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-4-[(2-nitrophenyl)methyl]-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-butyl-4-[(2-nitrophenyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione IUPAC Name: 4-butyl-4-[(2-nitrophenyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-butyl-4-(2-nitrobenzyl)-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O4/c1-2-3-18-26(19-20-12-10-11-17-23(20)29(32)33)24(30)27(21-13-6-4-7-14-21)28(25(26)31)22-15-8-5-9-16-22/h4-17H,2-3,18-19H2,1H3