(6Z)-6-[[(3-nitrophenyl)methylamino]-oxidanyl-methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione

Systemtic Name: (6Z)-6-[[(3-nitrophenyl)methylamino]-oxidanyl-methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione Openeye Name: (6Z)-6-[hydroxy-[(3-nitrophenyl)methylamino]methylene]-2-(2-thienyl)-1H-pyrimidine-4,5-dione CAS Name: (6Z)-6-[hydroxy-[(3-nitrophenyl)methylamino]methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione IUPAC Name: (6Z)-6-[hydroxy-[(3-nitrophenyl)methylamino]methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione Traditional Name: (6Z)-6-[hydroxy-[(3-nitrobenzyl)amino]methylene]-2-(2-thienyl)-1H-pyrimidine-4,5-quinone Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=C2C(=O)C(=O)N=C(N2)C3=CC=CS3)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN/C(=C/2\C(=O)C(=O)N=C(N2)C3=CC=CS3)/O

InChI

InChI=1S/C16H12N4O5S/c21-13-12(18-14(19-16(13)23)11-5-2-6-26-11)15(22)17-8-9-3-1-4-10(7-9)20(24)25/h1-7,17,22H,8H2,(H,18,19,23)/b15-12-