2-[[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]-4-nitro-phenolate

Systemtic Name: 2-[[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]-4-nitro-phenolate Openeye Name: 2-[[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]-4-nitro-phenolate CAS Name: 2-[[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]-4-nitrophenolate IUPAC Name: 2-[[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]-4-nitrophenolate Traditional Name: 2-[[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]amino]-4-nitro-phenolate Formula: C16H13N2O7- MolecularWeight: 345.28362

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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/p-1/t15-/m0/s1