3-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]benzoic acid Openeye Name: 3-[(5-bromo-2,3-dioxo-indolin-1-yl)methyl]benzoic acid CAS Name: 3-[(5-bromo-2,3-dioxo-1-indolyl)methyl]benzoic acid IUPAC Name: 3-[(5-bromo-2,3-dioxoindol-1-yl)methyl]benzoic acid Traditional Name: 3-[(5-bromo-2,3-diketo-indolin-1-yl)methyl]benzoic acid Formula: C16H10BrNO4 MolecularWeight: 360.1589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C(=O)O

InChI

InChI=1S/C16H10BrNO4/c17-11-4-5-13-12(7-11)14(19)15(20)18(13)8-9-2-1-3-10(6-9)16(21)22/h1-7H,8H2,(H,21,22)