[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)benzoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)benzoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C3=CC=CC=C3NCCO

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C3=CC=CC=C3NCCO

InChI

InChI=1S/C21H24N4O6/c26-14-9-22-19-4-2-1-3-18(19)21(28)31-15-20(27)24-12-10-23(11-13-24)16-5-7-17(8-6-16)25(29)30/h1-8,22,26H,9-15H2