8-fluoranyl-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid

Systemtic Name: 8-fluoranyl-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid Openeye Name: 8-fluoro-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid CAS Name: 8-fluoro-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid IUPAC Name: 8-fluoro-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxylic acid Traditional Name: 8-fluoro-5-nitro-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indole-1-carboxylic acid Formula: C15H15FN2O5 MolecularWeight: 322.288403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15FN2O5/c1-2-6-15(14(19)20)13-8(5-7-23-15)11-10(18(21)22)4-3-9(16)12(11)17-13/h3-4,17H,2,5-7H2,1H3,(H,19,20)