5-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[(5-nitrofuran-2-yl)methyl]amino]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[(5-nitrofuran-2-yl)methyl]amino]-1H-indole-2-carboxylic acid Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl-[(5-nitro-2-furyl)methyl]amino]-1H-indole-2-carboxylic acid CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl-[(5-nitro-2-furanyl)methyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl-[(5-nitrofuran-2-yl)methyl]amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[(2-chloro-6-fluoro-benzyl)-[(5-nitro-2-furyl)methyl]amino]-1H-indole-2-carboxylic acid Formula: C21H15ClFN3O5 MolecularWeight: 443.812303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN(CC2=CC=C(O2)[N+](=O)[O-])C3=CC4=C(C=C3)NC(=C4)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN(CC2=CC=C(O2)[N+](=O)[O-])C3=CC4=C(C=C3)NC(=C4)C(=O)O)F

InChI

InChI=1S/C21H15ClFN3O5/c22-16-2-1-3-17(23)15(16)11-25(10-14-5-7-20(31-14)26(29)30)13-4-6-18-12(8-13)9-19(24-18)21(27)28/h1-9,24H,10-11H2,(H,27,28)