(3Z)-3-[(4-nitrophenyl)methylidene]-1H-isothiochromen-4-one

Systemtic Name: (3Z)-3-[(4-nitrophenyl)methylidene]-1H-isothiochromen-4-one Openeye Name: (3Z)-3-[(4-nitrophenyl)methylene]isothiochroman-4-one CAS Name: (3Z)-3-[(4-nitrophenyl)methylidene]-1H-2-benzothiopyran-4-one IUPAC Name: (3Z)-3-[(4-nitrophenyl)methylidene]-1H-isothiochromen-4-one Traditional Name: (3Z)-3-(4-nitrobenzylidene)isothiochroman-4-one Formula: C16H11NO3S MolecularWeight: 297.32844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S1

Isomeric SMILES

C1C2=CC=CC=C2C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/S1

InChI

InChI=1S/C16H11NO3S/c18-16-14-4-2-1-3-12(14)10-21-15(16)9-11-5-7-13(8-6-11)17(19)20/h1-9H,10H2/b15-9-