[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenylbutanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenylbutanoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] (2S)-2-phenylbutanoate CAS Name: (2S)-2-phenylbutanoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (2S)-2-phenylbutanoate Traditional Name: (2S)-2-phenylbutyric acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5/c1-2-14(12-6-4-3-5-7-12)18(23)26-11-17(22)20-15-10-13(19)8-9-16(15)21(24)25/h3-10,14H,2,11H2,1H3,(H,20,22)/t14-/m0/s1