(3S)-6,7-dimethoxy-3-[(5-nitro-2-oxidanyl-phenyl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-[(5-nitro-2-oxidanyl-phenyl)amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-(2-hydroxy-5-nitro-anilino)-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: (3S)-3-(2-hydroxy-5-nitroanilino)-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-(2-hydroxy-5-nitroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: (3S)-3-(2-hydroxy-5-nitro-anilino)-6,7-dimethoxy-phthalide Formula: C16H14N2O7 MolecularWeight: 346.29156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C16H14N2O7/c1-23-12-6-4-9-13(14(12)24-2)16(20)25-15(9)17-10-7-8(18(21)22)3-5-11(10)19/h3-7,15,17,19H,1-2H3/t15-/m0/s1