ethyl 3-nitro-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O7/c1-2-31-20(26)15-11-14(12-18(13-15)24(29)30)19(25)22-9-7-21(8-10-22)16-3-5-17(6-4-16)23(27)28/h3-6,11-13H,2,7-10H2,1H3