Basic information
- Standard SMILES
Cc1c(C(=O)O)[nH]c(C=C2C(=O)Nc3ccc(Br)cc32)c1CCC(=O)O- InChIKey
UXUXBYUAZAXPDH-UHFFFAOYSA-N- Molecular formula
- C18H15BrN2O5
- Average molar mass
- 419.2 g/mol
Names & identifiers
- Preferred name
- 4-(2-carboxyethyl)-3-methyl-5-(5-bromo-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid
- IUPAC
- 5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-(2-carboxyethyl)-3-methyl-1H-pyrrole-2-carboxylic acid
Names & synonyms
SCHEMBL6409778UXUXBYUAZAXPDH-UHFFFAOYSA-N4-(2-carboxy-ethyl)-3-methyl-5-(5-bromo -2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid4-(2-carboxyethyl)-3-methyl-5-(5-bromo-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid
Database identifiers
- PubChem CID
- 54377851
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 637
Related reactions
3 records
Compound notes
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