methyl 3-nitro-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 3-nitro-4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H20N4O8 MolecularWeight: 444.3948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O8/c1-31-20(26)14-2-7-18(17(12-14)24(29)30)32-13-19(25)22-10-8-21(9-11-22)15-3-5-16(6-4-15)23(27)28/h2-7,12H,8-11,13H2,1H3