(3S)-3-[(E)-2-[(5-chloranyl-2-oxidanyl-phenyl)amino]-1-nitro-ethenyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[(E)-2-[(5-chloranyl-2-oxidanyl-phenyl)amino]-1-nitro-ethenyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[(E)-2-(5-chloro-2-hydroxy-anilino)-1-nitro-vinyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[(E)-2-(5-chloro-2-hydroxyanilino)-1-nitroethenyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[(E)-2-(5-chloro-2-hydroxyanilino)-1-nitroethenyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(E)-2-(5-chloro-2-hydroxy-anilino)-1-nitro-vinyl]phthalide Formula: C16H11ClN2O5 MolecularWeight: 346.72194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)C(=CNC3=C(C=CC(=C3)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](OC2=O)/C(=C\NC3=C(C=CC(=C3)Cl)O)/[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O5/c17-9-5-6-14(20)12(7-9)18-8-13(19(22)23)15-10-3-1-2-4-11(10)16(21)24-15/h1-8,15,18,20H/b13-8+/t15-/m0/s1