4-[[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbonylamino]phthalic acid

Systemtic Name: 4-[[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbonylamino]phthalic acid Openeye Name: 4-[[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzoyl]amino]phthalic acid CAS Name: 4-[[[3-(5-nitro-1,3-dioxo-2-isoindolyl)phenyl]-oxomethyl]amino]phthalic acid IUPAC Name: 4-[[3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]phthalic acid Traditional Name: 4-[[3-(1,3-diketo-5-nitro-isoindolin-2-yl)benzoyl]amino]phthalic acid Formula: C23H13N3O9 MolecularWeight: 475.36402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H13N3O9/c27-19(24-12-4-6-16(22(30)31)18(9-12)23(32)33)11-2-1-3-13(8-11)25-20(28)15-7-5-14(26(34)35)10-17(15)21(25)29/h1-10H,(H,24,27)(H,30,31)(H,32,33)