3-nitro-4-[(4-nitrophenyl)amino]thiochromen-2-one

Systemtic Name: 3-nitro-4-[(4-nitrophenyl)amino]thiochromen-2-one Openeye Name: 3-nitro-4-(4-nitroanilino)thiochromen-2-one CAS Name: 3-nitro-4-(4-nitroanilino)-1-benzothiopyran-2-one IUPAC Name: 3-nitro-4-(4-nitroanilino)thiochromen-2-one Traditional Name: 3-nitro-4-(4-nitroanilino)thiochromen-2-one Formula: C15H9N3O5S MolecularWeight: 343.31406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)S2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)S2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O5S/c19-15-14(18(22)23)13(11-3-1-2-4-12(11)24-15)16-9-5-7-10(8-6-9)17(20)21/h1-8,16H