[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-phenylethanoylamino)propanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-phenylethanoylamino)propanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18ClN3O6 MolecularWeight: 419.81572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O6/c20-15-7-6-14(11-16(15)23(27)28)22-18(25)12-29-19(26)8-9-21-17(24)10-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,21,24)(H,22,25)