(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)propanenitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)propionitrile Formula: C16H9N3O4S MolecularWeight: 339.32536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C=C3C=C(C(=O)C=C3O)[N+](=O)[O-])C#N)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(\C=C3C=C(C(=O)C=C3O)[N+](=O)[O-])/C#N)/S2

InChI

InChI=1S/C16H9N3O4S/c17-8-10(16-18-11-3-1-2-4-15(11)24-16)5-9-6-12(19(22)23)14(21)7-13(9)20/h1-7,18,20H/b9-5?,16-10-