(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H18N2O7/c24-15-4-5-16-13(9-20(25)30-19(16)11-15)12-29-21(26)17-10-14(23(27)28)3-6-18(17)22-7-1-2-8-22/h3-6,9-11,24H,1-2,7-8,12H2