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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6/c20-14-10-6-5-9(19(24)25)7-12(10)15(21)18(14)8-17-13-4-2-1-3-11(13)16(22)23/h1-7,17H,8H2,(H,22,23)