(2E)-2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazole-4-carboxylic acid

Systemtic Name: (2E)-2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazole-4-carboxylic acid Openeye Name: (2E)-2-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3H-thiazole-4-carboxylic acid CAS Name: (2E)-2-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-3H-thiazole-4-carboxylic acid IUPAC Name: (2E)-2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazole-4-carboxylic acid Traditional Name: (2E)-2-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-4-thiazoline-4-carboxylic acid Formula: C10H6N2O5S MolecularWeight: 266.23004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=C2NC(=CS2)C(=O)O)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)/C(=C/2\NC(=CS2)C(=O)O)/C=C1[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O5S/c13-8-2-1-5(12(16)17)3-6(8)9-11-7(4-18-9)10(14)15/h1-4,11H,(H,14,15)/b9-6+