3-[(4-nitro-2-oxidanyl-phenyl)amino]-6,7-didehydro-3H-2-benzofuran-1-one

Systemtic Name: 3-[(4-nitro-2-oxidanyl-phenyl)amino]-6,7-didehydro-3H-2-benzofuran-1-one Openeye Name: 3-(2-hydroxy-4-nitro-anilino)-6,7-didehydro-3H-isobenzofuran-1-one CAS Name: 3-(2-hydroxy-4-nitroanilino)-6,7-didehydro-3H-isobenzofuran-1-one IUPAC Name: 3-(2-hydroxy-4-nitroanilino)-6,7-didehydro-3H-2-benzofuran-1-one Traditional Name: 3-(2-hydroxy-4-nitro-anilino)-6,7-didehydro-3H-isobenzofuran-1-one Formula: C14H8N2O5 MolecularWeight: 284.22372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C#C1)C(=O)OC2NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC2=C(C#C1)C(=O)OC2NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H8N2O5/c17-12-7-8(16(19)20)5-6-11(12)15-13-9-3-1-2-4-10(9)14(18)21-13/h1,3,5-7,13,15,17H