[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c20-16(18-14-7-4-8-15(11-14)19(22)23)12-24-17(21)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,18,20)