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

Systemtic Name: ethyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-(4-o-phenetylpiperazine-1-carbonyl)benzoic acid ethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H25N3O6/c1-3-30-20-8-6-5-7-19(20)23-9-11-24(12-10-23)21(26)16-13-17(22(27)31-4-2)15-18(14-16)25(28)29/h5-8,13-15H,3-4,9-12H2,1-2H3