(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O6/c28-23-14-18(24-19-6-2-1-5-16(19)8-10-22(24)33-23)15-32-25(29)17-7-9-20(21(13-17)27(30)31)26-11-3-4-12-26/h1-2,5-10,13-14H,3-4,11-12,15H2