ethyl 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6/c1-2-31-23(28)19-12-18(13-20(14-19)26(29)30)22(27)25-8-6-24(7-9-25)15-16-3-4-21-17(11-16)5-10-32-21/h3-4,11-14H,2,5-10,15H2,1H3