4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 4-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 4-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 4-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]benzoic acid Formula: C22H12N2O7 MolecularWeight: 416.33988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H12N2O7/c25-19(13-2-1-3-16(10-13)24(30)31)14-6-9-17-18(11-14)21(27)23(20(17)26)15-7-4-12(5-8-15)22(28)29/h1-11H,(H,28,29)