(4E)-4-(5-chloranyl-1,2-benzoxazol-3-ylidene)-2-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(5-chloranyl-1,2-benzoxazol-3-ylidene)-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(5-chloro-1,2-benzoxazol-3-ylidene)-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(5-chloro-1,2-benzoxazol-3-ylidene)-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(5-chloro-1,2-benzoxazol-3-ylidene)-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(5-chloroindoxazen-3-ylidene)-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C13H8ClNO3 MolecularWeight: 261.66052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=C3C=CC(=O)C(=C3)O)NO2

Isomeric SMILES

C1=CC2=C(C=C1Cl)/C(=C\3/C=CC(=O)C(=C3)O)/NO2

InChI

InChI=1S/C13H8ClNO3/c14-8-2-4-12-9(6-8)13(15-18-12)7-1-3-10(16)11(17)5-7/h1-6,15,17H/b13-7+