[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17FN4O6 MolecularWeight: 404.349183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H17FN4O6/c1-11(20-18(26)21-12-5-3-2-4-6-12)17(25)29-10-16(24)22-15-9-13(23(27)28)7-8-14(15)19/h2-9,11H,10H2,1H3,(H,22,24)(H2,20,21,26)/t11-/m0/s1