5-fluoranyl-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 5-fluoranyl-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-fluoro-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid CAS Name: 5-fluoro-1-[(3-nitrophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-fluoro-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-fluoro-1-(3-nitrobenzyl)indole-2-carboxylic acid Formula: C16H11FN2O4 MolecularWeight: 314.267943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C3=C(C=C(C=C3)F)C=C2C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C3=C(C=C(C=C3)F)C=C2C(=O)O

InChI

InChI=1S/C16H11FN2O4/c17-12-4-5-14-11(7-12)8-15(16(20)21)18(14)9-10-2-1-3-13(6-10)19(22)23/h1-8H,9H2,(H,20,21)