4-[5-(2-nitro-1-oxidanyl-ethyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(2-nitro-1-oxidanyl-ethyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(1-hydroxy-2-nitro-ethyl)isoxazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(1-hydroxy-2-nitroethyl)-3-isoxazolylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(1-hydroxy-2-nitroethyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(1-hydroxy-2-nitro-ethyl)-4-isoxazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C11H10N2O5 MolecularWeight: 250.2075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C=C(ON2)C(C[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=O)C=CC1=C2C=C(ON2)C(C[N+](=O)[O-])O

InChI

InChI=1S/C11H10N2O5/c14-8-3-1-7(2-4-8)9-5-11(18-12-9)10(15)6-13(16)17/h1-5,10,12,15H,6H2