(4-bromophenyl)-[2-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpyrazolidin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[2-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpyrazolidin-1-yl]methanone Openeye Name: (4-bromophenyl)-[2-(3,4,5-trimethoxy-2-nitro-benzoyl)pyrazolidin-1-yl]methanone CAS Name: (4-bromophenyl)-[2-[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]-1-pyrazolidinyl]methanone IUPAC Name: (4-bromophenyl)-[2-(3,4,5-trimethoxy-2-nitrobenzoyl)pyrazolidin-1-yl]methanone Traditional Name: (4-bromophenyl)-[2-(3,4,5-trimethoxy-2-nitro-benzoyl)pyrazolidin-1-yl]methanone Formula: C20H20BrN3O7 MolecularWeight: 494.2927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H20BrN3O7/c1-29-15-11-14(16(24(27)28)18(31-3)17(15)30-2)20(26)23-10-4-9-22(23)19(25)12-5-7-13(21)8-6-12/h5-8,11H,4,9-10H2,1-3H3