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

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 2-(2-amino-2-oxoethoxy)benzoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate Traditional Name: 2-(2-amino-2-keto-ethoxy)benzoic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C21H22N4O7 MolecularWeight: 442.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C3=CC=CC=C3OCC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C3=CC=CC=C3OCC(=O)N

InChI

InChI=1S/C21H22N4O7/c22-19(26)13-31-18-4-2-1-3-17(18)21(28)32-14-20(27)24-11-9-23(10-12-24)15-5-7-16(8-6-15)25(29)30/h1-8H,9-14H2,(H2,22,26)