[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c19-11-14-10-15(21(24)25)7-8-16(14)20-17(22)12-26-18(23)9-6-13-4-2-1-3-5-13/h1-5,7-8,10H,6,9,12H2,(H,20,22)