tert-butyl 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitro-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitro-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-nitro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitrobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-nitro-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H27N3O7/c1-25(2,3)35-24(30)27-13-11-26(12-14-27)23(29)19-5-4-6-20(28(31)32)18(19)9-7-17-8-10-21-22(15-17)34-16-33-21/h4-10,15H,11-14,16H2,1-3H3/b9-7+