tert-butyl 4-[4-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-nitro-phenyl]carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-nitro-phenyl]carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-(2-ethoxy-2-oxo-ethoxy)-3-nitro-phenyl]carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-(2-ethoxy-2-oxoethoxy)-3-nitroanilino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-(2-ethoxy-2-keto-ethoxy)-3-nitro-phenyl]carbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H32N4O8 MolecularWeight: 528.55428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H32N4O8/c1-5-36-23(31)17-37-22-11-8-19(16-21(22)30(34)35)27-24(32)18-6-9-20(10-7-18)28-12-14-29(15-13-28)25(33)38-26(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3,(H,27,32)