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

Systemtic Name: 4-butyl-4-[(1R)-1-(4-chloranyl-2-methyl-phenyl)-2-nitro-ethyl]-1,2-diphenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-4-[(1R)-1-(4-chloro-2-methyl-phenyl)-2-nitro-ethyl]-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-butyl-4-[(1R)-1-(4-chloro-2-methylphenyl)-2-nitroethyl]-1,2-diphenylpyrazolidine-3,5-dione IUPAC Name: 4-butyl-4-[(1R)-1-(4-chloro-2-methylphenyl)-2-nitroethyl]-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-butyl-4-[(1R)-1-(4-chloro-2-methyl-phenyl)-2-nitro-ethyl]-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C28H28ClN3O4 MolecularWeight: 505.99262

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN3O4/c1-3-4-17-28(25(19-30(35)36)24-16-15-21(29)18-20(24)2)26(33)31(22-11-7-5-8-12-22)32(27(28)34)23-13-9-6-10-14-23/h5-16,18,25H,3-4,17,19H2,1-2H3/t25-/m1/s1