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

Systemtic Name: methyl 3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 3-[[3-nitro-4-(1-piperidyl)benzoyl]oxymethyl]furan-2-carboxylate CAS Name: 3-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-nitro-4-piperidin-1-ylbenzoyl)oxymethyl]furan-2-carboxylate Traditional Name: 3-[(3-nitro-4-piperidino-benzoyl)oxymethyl]furan-2-carboxylic acid methyl ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CO1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7/c1-26-19(23)17-14(7-10-27-17)12-28-18(22)13-5-6-15(16(11-13)21(24)25)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9,12H2,1H3