tert-butyl 2-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-phenyl]amino]propanoate

Systemtic Name: tert-butyl 2-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-phenyl]amino]propanoate Openeye Name: tert-butyl 2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-anilino]propanoate CAS Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-nitroanilino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitroanilino]propanoate Traditional Name: 2-[4-nitro-2-(piperonylcarbamoyl)anilino]propionic acid tert-butyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)OC(C)(C)C)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H25N3O7/c1-13(21(27)32-22(2,3)4)24-17-7-6-15(25(28)29)10-16(17)20(26)23-11-14-5-8-18-19(9-14)31-12-30-18/h5-10,13,24H,11-12H2,1-4H3,(H,23,26)