[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C20H16FN3O5 MolecularWeight: 397.356543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H16FN3O5/c21-16-9-7-15(11-18(16)24(27)28)23-19(25)12-29-20(26)10-8-14-6-5-13-3-1-2-4-17(13)22-14/h1-7,9,11H,8,10,12H2,(H,23,25)