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

Systemtic Name: 4-butyl-4-[[(4-methyl-3-nitro-phenyl)amino]methyl]-1,2-diphenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-4-[(4-methyl-3-nitro-anilino)methyl]-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-butyl-4-[(4-methyl-3-nitroanilino)methyl]-1,2-diphenylpyrazolidine-3,5-dione IUPAC Name: 4-butyl-4-[(4-methyl-3-nitroanilino)methyl]-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-butyl-4-[(4-methyl-3-nitro-anilino)methyl]-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C27H28N4O4 MolecularWeight: 472.53562

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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)CNC4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CNC4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O4/c1-3-4-17-27(19-28-21-16-15-20(2)24(18-21)31(34)35)25(32)29(22-11-7-5-8-12-22)30(26(27)33)23-13-9-6-10-14-23/h5-16,18,28H,3-4,17,19H2,1-2H3