3-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoic acid

Systemtic Name: 3-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoic acid Openeye Name: 3-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzoic acid CAS Name: 3-[(4-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid IUPAC Name: 3-[(4-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzoic acid Traditional Name: 3-[(1,3-diketo-4-nitro-isoindolin-2-yl)methylamino]benzoic acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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