3-[(4-nitrophenyl)methyl]-1-oxidanylidene-thiochromen-4-one

Systemtic Name: 3-[(4-nitrophenyl)methyl]-1-oxidanylidene-thiochromen-4-one Openeye Name: 3-[(4-nitrophenyl)methyl]-1-oxo-thiochromen-4-one CAS Name: 3-[(4-nitrophenyl)methyl]-1-oxo-1-benzothiopyran-4-one IUPAC Name: 3-[(4-nitrophenyl)methyl]-1-oxothiochromen-4-one Traditional Name: 1-keto-3-(4-nitrobenzyl)thiochromen-4-one Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CS2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CS2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO4S/c18-16-12(9-11-5-7-13(8-6-11)17(19)20)10-22(21)15-4-2-1-3-14(15)16/h1-8,10H,9H2