3-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate

Systemtic Name: 3-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: 3-[(5-bromo-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 3-[(5-bromo-1,3-dioxo-2-isoindolyl)methylamino]benzoate IUPAC Name: 3-[(5-bromo-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 3-[(5-bromo-1,3-diketo-isoindolin-2-yl)methylamino]benzoate Formula: C16H10BrN2O4- MolecularWeight: 374.1656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O4/c17-10-4-5-12-13(7-10)15(21)19(14(12)20)8-18-11-3-1-2-9(6-11)16(22)23/h1-7,18H,8H2,(H,22,23)/p-1