(phenylmethyl) 3-(4-chloranyl-2-nitro-phenyl)-2-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-(4-chloranyl-2-nitro-phenyl)-2-oxidanylidene-propanoate Openeye Name: benzyl 3-(4-chloro-2-nitro-phenyl)-2-oxo-propanoate CAS Name: 3-(4-chloro-2-nitrophenyl)-2-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-chloro-2-nitrophenyl)-2-oxopropanoate Traditional Name: 3-(4-chloro-2-nitro-phenyl)-2-keto-propionic acid benzyl ester Formula: C16H12ClNO5 MolecularWeight: 333.72318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=O)CC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=O)CC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClNO5/c17-13-7-6-12(14(9-13)18(21)22)8-15(19)16(20)23-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2