ethyl 3-nitro-5-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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