(3S)-6,7-dimethoxy-3-[(2-methoxy-4-nitro-phenyl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-[(2-methoxy-4-nitro-phenyl)amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-(2-methoxy-4-nitro-anilino)-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-(2-methoxy-4-nitroanilino)-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-(2-methoxy-4-nitroanilino)-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-(2-methoxy-4-nitro-anilino)phthalide Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7/c1-23-12-7-5-10-14(15(12)25-3)17(20)26-16(10)18-11-6-4-9(19(21)22)8-13(11)24-2/h4-8,16,18H,1-3H3/t16-/m0/s1