5-(3,4-dicarboxyphenyl)carbonyl-3-nitro-phthalic acid

Systemtic Name: 5-(3,4-dicarboxyphenyl)carbonyl-3-nitro-phthalic acid Openeye Name: 5-(3,4-dicarboxybenzoyl)-3-nitro-phthalic acid CAS Name: 5-[(3,4-dicarboxyphenyl)-oxomethyl]-3-nitrophthalic acid IUPAC Name: 5-(3,4-dicarboxybenzoyl)-3-nitrophthalic acid Traditional Name: 5-(3,4-dicarboxybenzoyl)-3-nitro-phthalic acid Formula: C17H9NO11 MolecularWeight: 403.25346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H9NO11/c19-13(6-1-2-8(14(20)21)9(3-6)15(22)23)7-4-10(16(24)25)12(17(26)27)11(5-7)18(28)29/h1-5H,(H,20,21)(H,22,23)(H,24,25)(H,26,27)