tert-butyl 2-[[4-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]carbonyl-2-nitro-phenyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[4-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]carbonyl-2-nitro-phenyl]amino]ethanoate Openeye Name: tert-butyl 2-[4-[4-[(4-dimethylaminophenyl)methyl]piperazine-1-carbonyl]-2-nitro-anilino]acetate CAS Name: 2-[4-[[4-[(4-dimethylaminophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-nitroanilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-[(4-dimethylaminophenyl)methyl]piperazine-1-carbonyl]-2-nitroanilino]acetate Traditional Name: 2-[4-[4-[4-(dimethylamino)benzyl]piperazine-1-carbonyl]-2-nitro-anilino]acetic acid tert-butyl ester Formula: C26H35N5O5 MolecularWeight: 497.5866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H35N5O5/c1-26(2,3)36-24(32)17-27-22-11-8-20(16-23(22)31(34)35)25(33)30-14-12-29(13-15-30)18-19-6-9-21(10-7-19)28(4)5/h6-11,16,27H,12-15,17-18H2,1-5H3