methyl 5-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(azepan-1-yl)-3-nitro-benzoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(azepan-1-yl)-3-nitrobenzoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[4-(azepan-1-yl)-3-nitro-benzoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-27-20(24)18-9-7-15(29-18)13-28-19(23)14-6-8-16(17(12-14)22(25)26)21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11,13H2,1H3