3-chloranylbenzoate; 7-oxidanyl-1H-pyrrolo[2,3-b]pyridin-7-ium

Systemtic Name: 3-chloranylbenzoate; 7-oxidanyl-1H-pyrrolo[2,3-b]pyridin-7-ium Openeye Name: 3-chlorobenzoate; 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium CAS Name: 3-chlorobenzoate; 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium IUPAC Name: 3-chlorobenzoate; 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium Traditional Name: 3-chlorobenzoate; 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium Formula: C14H11ClN2O3 MolecularWeight: 290.70174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)[O-].C1=CC2=C(NC=C2)[N+](=C1)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)[O-].C1=CC2=C(NC=C2)[N+](=C1)O

InChI

InChI=1S/C7H5ClO2.C7H6N2O/c8-6-3-1-2-5(4-6)7(9)10;10-9-5-1-2-6-3-4-8-7(6)9/h1-4H,(H,9,10);1-5,10H