Ethyl 3-acetyl-2,3,6,11-tetrahydro-1,6,11-trioxo-1H-naphth[2,3-e]indole-2-carboxylate

HCID 2749331

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Basic information

CAS: 1008005-96-6
Standard SMILES: CCOC(=O)C1C(=O)c2c(ccc3c2C(=O)c2ccccc2C3=O)N1C(C)=O
InChIKey: JZEWSRKCCZNWLH-UHFFFAOYSA-N
Molecular formula: C21H15NO6
Average molar mass: 377.3 g/mol
Monoisotopic mass: 377.0899372

Names & identifiers

Preferred name: Ethyl 3-acetyl-2,3,6,11-tetrahydro-1,6,11-trioxo-1H-naphth[2,3-e]indole-2-carboxylate
IUPAC: ethyl 3-acetyl-1,6,11-trioxo-2H-naphtho[2,3-e]indole-2-carboxylate

Names & synonyms

Ethyl 3-acetyl-2,3,6,11-tetrahydro-1,6,11-trioxo-1H-naphth[2,3-e]indole-2-carboxylate1008005-96-6DTXSID701127824AKOS004900798Ethyl 3-acetyl-1,6,11-trioxo-2,3,6,11-tetrahydro-1H-naphtho[2,3-e]indole-2-carboxylate

Database identifiers

CAS: 1008005-96-6
PubChem CID: 2749331
DTXSID: DTXSID701127824

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 97.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 745

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