N-(4-nitrophenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxidanylidene-butanamide

Systemtic Name: N-(4-nitrophenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxidanylidene-butanamide Openeye Name: N-(4-nitrophenyl)-2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]-3-oxo-butanamide CAS Name: N-(4-nitrophenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxobutanamide IUPAC Name: N-(4-nitrophenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxobutanamide Traditional Name: 2-acetyl-N-(4-nitrophenyl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)acrylamide Formula: C18H13N5O6S MolecularWeight: 427.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O6S/c1-10(24)14(17(25)19-11-2-4-12(5-3-11)22(26)27)9-21-16-8-13(23(28)29)6-7-15(16)20-18(21)30/h2-9H,1H3,(H,19,25)(H,20,30)