(4-nitrophenyl)methyl 3-chloranyl-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-chloranyl-3-oxidanylidene-2-phenyl-propanoate Openeye Name: (4-nitrophenyl)methyl 3-chloro-3-oxo-2-phenyl-propanoate CAS Name: 3-chloro-3-oxo-2-phenylpropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-chloro-3-oxo-2-phenylpropanoate Traditional Name: 3-chloro-3-keto-2-phenyl-propionic acid (4-nitrobenzyl) ester Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)Cl

InChI

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