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

Systemtic Name: 4-butyl-4-[(4-methoxy-3-nitro-phenyl)methyl]-1,2-diphenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-4-[(4-methoxy-3-nitro-phenyl)methyl]-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-butyl-4-[(4-methoxy-3-nitrophenyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione IUPAC Name: 4-butyl-4-[(4-methoxy-3-nitrophenyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-butyl-4-(4-methoxy-3-nitro-benzyl)-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C27H27N3O5 MolecularWeight: 473.52038

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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(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5/c1-3-4-17-27(19-20-15-16-24(35-2)23(18-20)30(33)34)25(31)28(21-11-7-5-8-12-21)29(26(27)32)22-13-9-6-10-14-22/h5-16,18H,3-4,17,19H2,1-2H3