(2E)-2-(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-4-carboxylic acid

Systemtic Name: (2E)-2-(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-4-carboxylic acid Openeye Name: (2E)-2-(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-4-carboxylic acid CAS Name: (2E)-2-(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridine-4-carboxylic acid IUPAC Name: (2E)-2-(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridine-4-carboxylic acid Traditional Name: (2E)-2-(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-4-carboxylic acid Formula: C12H7ClN2O5 MolecularWeight: 294.64738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)C=C1C(=O)O

Isomeric SMILES

C1=CN/C(=C/2\C=C(C=C(C2=O)[N+](=O)[O-])Cl)/C=C1C(=O)O

InChI

InChI=1S/C12H7ClN2O5/c13-7-4-8(11(16)10(5-7)15(19)20)9-3-6(12(17)18)1-2-14-9/h1-5,14H,(H,17,18)/b9-8+