(3E)-3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]chromen-4-one

Systemtic Name: (3E)-3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]chromen-4-one Openeye Name: (3E)-3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]chroman-4-one CAS Name: (3E)-3-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3E)-3-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]chromen-4-one Traditional Name: (3E)-3-(3-nitro-4-pyrrolidino-benzylidene)chroman-4-one Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=C3COC4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)/C=C/3\COC4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O4/c23-20-15(13-26-19-6-2-1-5-16(19)20)11-14-7-8-17(18(12-14)22(24)25)21-9-3-4-10-21/h1-2,5-8,11-12H,3-4,9-10,13H2/b15-11+