(6-chloranyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (6-chloranyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (6-chloro-4-oxo-2-phenyl-chromen-3-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (6-chloro-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6-chloro-4-oxo-2-phenylchromen-3-yl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (6-chloro-4-keto-2-phenyl-chromen-3-yl) ester Formula: C26H19ClN2O6 MolecularWeight: 490.89186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H19ClN2O6/c27-18-9-11-22-19(15-18)23(30)25(24(34-22)16-6-2-1-3-7-16)35-26(31)17-8-10-20(21(14-17)29(32)33)28-12-4-5-13-28/h1-3,6-11,14-15H,4-5,12-13H2