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

Systemtic Name: 4-butyl-4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-1,2-diphenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-4-[2-(3-nitrophenyl)-2-oxo-ethyl]-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-butyl-4-[2-(3-nitrophenyl)-2-oxoethyl]-1,2-diphenylpyrazolidine-3,5-dione IUPAC Name: 4-butyl-4-[2-(3-nitrophenyl)-2-oxoethyl]-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-butyl-4-[2-keto-2-(3-nitrophenyl)ethyl]-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C27H25N3O5 MolecularWeight: 471.5045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O5/c1-2-3-17-27(19-24(31)20-11-10-16-23(18-20)30(34)35)25(32)28(21-12-6-4-7-13-21)29(26(27)33)22-14-8-5-9-15-22/h4-16,18H,2-3,17,19H2,1H3