3-(4,5-dimethoxy-2-nitro-phenyl)-6,7-dimethoxy-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(4,5-dimethoxy-2-nitro-phenyl)-6,7-dimethoxy-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-(4,5-dimethoxy-2-nitro-phenyl)-4-hydroxy-6,7-dimethoxy-naphthalene-1,2-dione CAS Name: 3-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-6,7-dimethoxynaphthalene-1,2-dione IUPAC Name: 3-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-6,7-dimethoxynaphthalene-1,2-dione Traditional Name: 3-(4,5-dimethoxy-2-nitro-phenyl)-4-hydroxy-6,7-dimethoxy-1,2-naphthoquinone Formula: C20H17NO9 MolecularWeight: 415.35028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C(=O)C2=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C(=O)C2=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)O)OC

InChI

InChI=1S/C20H17NO9/c1-27-13-5-9-10(6-14(13)28-2)19(23)20(24)17(18(9)22)11-7-15(29-3)16(30-4)8-12(11)21(25)26/h5-8,22H,1-4H3