1-[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(2-fluoro-5-nitroanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(2-fluoro-5-nitroanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C16H19FN2O5 MolecularWeight: 338.330863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C16H19FN2O5/c17-12-6-5-11(19(23)24)9-13(12)18-14(20)10-16(15(21)22)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2,(H,18,20)(H,21,22)