(3E)-2-methyl-3-[[(4-nitrophenyl)amino]-oxidanyl-methylidene]isoquinoline-1,4-dione

Systemtic Name: (3E)-2-methyl-3-[[(4-nitrophenyl)amino]-oxidanyl-methylidene]isoquinoline-1,4-dione Openeye Name: (3E)-3-[hydroxy-(4-nitroanilino)methylene]-2-methyl-isoquinoline-1,4-dione CAS Name: (3E)-3-[hydroxy-(4-nitroanilino)methylidene]-2-methylisoquinoline-1,4-dione IUPAC Name: (3E)-3-[hydroxy-(4-nitroanilino)methylidene]-2-methylisoquinoline-1,4-dione Traditional Name: (3E)-3-[hydroxy-(4-nitroanilino)methylene]-2-methyl-isoquinoline-1,4-quinone Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(NC2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C3=CC=CC=C3C1=O

Isomeric SMILES

CN1/C(=C(\NC2=CC=C(C=C2)[N+](=O)[O-])/O)/C(=O)C3=CC=CC=C3C1=O

InChI

InChI=1S/C17H13N3O5/c1-19-14(15(21)12-4-2-3-5-13(12)17(19)23)16(22)18-10-6-8-11(9-7-10)20(24)25/h2-9,18,22H,1H3/b16-14+