tert-butyl 4-[3-[[4-(2-methoxyethoxycarbonyl)-2-nitro-phenyl]amino]phenyl]-2,6-dimethyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[4-(2-methoxyethoxycarbonyl)-2-nitro-phenyl]amino]phenyl]-2,6-dimethyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(2-methoxyethoxycarbonyl)-2-nitro-anilino]phenyl]-2,6-dimethyl-piperazine-1-carboxylate CAS Name: 4-[3-[4-[2-methoxyethoxy(oxo)methyl]-2-nitroanilino]phenyl]-2,6-dimethyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(2-methoxyethoxycarbonyl)-2-nitroanilino]phenyl]-2,6-dimethylpiperazine-1-carboxylate Traditional Name: 4-[3-[4-(2-methoxyethoxycarbonyl)-2-nitro-anilino]phenyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C27H36N4O7 MolecularWeight: 528.59734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)OC(C)(C)C)C)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(N1C(=O)OC(C)(C)C)C)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C27H36N4O7/c1-18-16-29(17-19(2)30(18)26(33)38-27(3,4)5)22-9-7-8-21(15-22)28-23-11-10-20(14-24(23)31(34)35)25(32)37-13-12-36-6/h7-11,14-15,18-19,28H,12-13,16-17H2,1-6H3