3-[methyl-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]amino]benzoic acid

Systemtic Name: 3-[methyl-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]amino]benzoic acid Openeye Name: 3-[methyl-(5-nitro-1,3-dioxo-isoindolin-2-yl)amino]benzoic acid CAS Name: 3-[methyl-(5-nitro-1,3-dioxo-2-isoindolyl)amino]benzoic acid IUPAC Name: 3-[methyl-(5-nitro-1,3-dioxoisoindol-2-yl)amino]benzoic acid Traditional Name: 3-[(1,3-diketo-5-nitro-isoindolin-2-yl)-methyl-amino]benzoic acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O6/c1-17(10-4-2-3-9(7-10)16(22)23)18-14(20)12-6-5-11(19(24)25)8-13(12)15(18)21/h2-8H,1H3,(H,22,23)