(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7/c25-16-5-6-17-15(11-21(26)31-20(17)12-16)13-30-22(27)14-4-7-18(19(10-14)24(28)29)23-8-2-1-3-9-23/h4-7,10-12,25H,1-3,8-9,13H2