tert-butyl 4-[3-[ethoxycarbonyl(methyl)carbamoyl]-4-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[ethoxycarbonyl(methyl)carbamoyl]-4-nitro-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[ethoxycarbonyl(methyl)carbamoyl]-4-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[[ethoxycarbonyl(methyl)amino]-oxomethyl]-4-nitrophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[ethoxycarbonyl(methyl)carbamoyl]-4-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[carbethoxy(methyl)carbamoyl]-4-nitro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N(C)C(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O7/c1-6-30-18(26)21(5)17(25)15-13-14(7-8-16(15)24(28)29)22-9-11-23(12-10-22)19(27)31-20(2,3)4/h7-8,13H,6,9-12H2,1-5H3