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

Systemtic Name: methyl 3-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: methyl 3-[(5-bromo-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 3-[(5-bromo-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 3-[(5-bromo-1,3-diketo-isoindolin-2-yl)methylamino]benzoic acid methyl ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O4/c1-24-17(23)10-3-2-4-12(7-10)19-9-20-15(21)13-6-5-11(18)8-14(13)16(20)22/h2-8,19H,9H2,1H3