[4-[2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[2-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]-2-oxo-ethyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[2-[4-(2-amino-2-oxoethyl)-1-piperazinyl]-2-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-[4-(2-amino-2-keto-ethyl)piperazino]-2-keto-ethyl]phenyl] ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N)C(=O)CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)N)C(=O)CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c22-19(26)14-23-9-11-24(12-10-23)20(27)13-15-1-7-18(8-2-15)31-21(28)16-3-5-17(6-4-16)25(29)30/h1-8H,9-14H2,(H2,22,26)