Basic information
- Standard SMILES
COC(=O)c1ccc(-c2c([N+](=O)[O-])ccc3c2/C(=C/c2[nH]ccc2OC)C(=O)N3)cc1- InChIKey
IAMJEGDFHCXZCP-KAMYIIQDSA-N- Molecular formula
- C22H17N3O6
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.11173527
Names & identifiers
- Preferred name
- (Z)-4-[2,3-dihydro-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-2-oxo-1H-indol-4-yl]-benzoic acid methyl ester
- IUPAC
- methyl 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxo-1H-indol-4-yl]benzoate
Names & synonyms
SCHEMBL7828186IAMJEGDFHCXZCP-KAMYIIQDSA-N(Z)-4-[2,3-dihydro-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-2-oxo-1H-indol-4-yl]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 9823378
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 742
Related reactions
2 records
Compound notes
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