oxolan-2-ylmethyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: oxolan-2-ylmethyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: tetrahydrofuran-2-ylmethyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid tetrahydrofurfuryl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c21-18(25-13-15-6-5-11-24-15)14-7-8-16(17(12-14)20(22)23)19-9-3-1-2-4-10-19/h7-8,12,15H,1-6,9-11,13H2