(4E)-1-(4-iodophenyl)-4-[(5-nitrothiophen-2-yl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: (4E)-1-(4-iodophenyl)-4-[(5-nitrothiophen-2-yl)methylidene]pyrazolidine-3,5-dione Openeye Name: (4E)-1-(4-iodophenyl)-4-[(5-nitro-2-thienyl)methylene]pyrazolidine-3,5-dione CAS Name: (4E)-1-(4-iodophenyl)-4-[(5-nitro-2-thiophenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: (4E)-1-(4-iodophenyl)-4-[(5-nitrothiophen-2-yl)methylidene]pyrazolidine-3,5-dione Traditional Name: (4E)-1-(4-iodophenyl)-4-[(5-nitro-2-thienyl)methylene]pyrazolidine-3,5-quinone Formula: C14H8IN3O4S MolecularWeight: 441.20049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)N2)I

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC=C(S3)[N+](=O)[O-])/C(=O)N2)I

InChI

InChI=1S/C14H8IN3O4S/c15-8-1-3-9(4-2-8)17-14(20)11(13(19)16-17)7-10-5-6-12(23-10)18(21)22/h1-7H,(H,16,19)/b11-7+