phenacyl 4-methyl-3-nitro-benzoate

Systemtic Name: phenacyl 4-methyl-3-nitro-benzoate Openeye Name: phenacyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid phenacyl ester Formula: C16H13NO5 MolecularWeight: 299.27812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5/c1-11-7-8-13(9-14(11)17(20)21)16(19)22-10-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3