(4-methoxyphenyl)methyl 4-[4-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 4-[4-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanyl-butanoyl]piperazine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl 4-[2-hydroxy-4-[(4-nitrophenyl)methoxycarbonylamino]butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-hydroxy-4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxobutyl]-1-piperazinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 4-[2-hydroxy-4-[(4-nitrophenyl)methoxycarbonylamino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-hydroxy-4-[(4-nitrobenzyl)oxycarbonylamino]butanoyl]piperazine-1-carboxylic acid p-anisyl ester Formula: C25H30N4O9 MolecularWeight: 530.5271

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)N2CCN(CC2)C(=O)C(CCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)N2CCN(CC2)C(=O)C(CCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C25H30N4O9/c1-36-21-8-4-19(5-9-21)17-38-25(33)28-14-12-27(13-15-28)23(31)22(30)10-11-26-24(32)37-16-18-2-6-20(7-3-18)29(34)35/h2-9,22,30H,10-17H2,1H3,(H,26,32)