5-bromanyl-3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1H-indole-2-carboxylate

Systemtic Name: 5-bromanyl-3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1H-indole-2-carboxylate Openeye Name: 5-bromo-3-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl]-1H-indole-2-carboxylate IUPAC Name: 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl]-1H-indole-2-carboxylate Formula: C19H11BrN3O6- MolecularWeight: 457.21114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=C(NC4=C3C=C(C=C4)Br)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=C(NC4=C3C=C(C=C4)Br)C(=O)[O-]

InChI

InChI=1S/C19H12BrN3O6/c20-9-4-5-13-12(8-9)10(16(21-13)19(26)27)6-7-22-17(24)11-2-1-3-14(23(28)29)15(11)18(22)25/h1-5,8,21H,6-7H2,(H,26,27)/p-1