3-(3-chlorophenyl)-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-hexanoic acid

Systemtic Name: 3-(3-chlorophenyl)-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-hexanoic acid Openeye Name: 3-(3-chlorophenyl)-2-[(4-nitrophenyl)methyl]-4-oxo-hexanoic acid CAS Name: 3-(3-chlorophenyl)-2-[(4-nitrophenyl)methyl]-4-oxohexanoic acid IUPAC Name: 3-(3-chlorophenyl)-2-[(4-nitrophenyl)methyl]-4-oxohexanoic acid Traditional Name: 3-(3-chlorophenyl)-4-keto-2-(4-nitrobenzyl)hexanoic acid Formula: C19H18ClNO5 MolecularWeight: 375.80292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO5/c1-2-17(22)18(13-4-3-5-14(20)11-13)16(19(23)24)10-12-6-8-15(9-7-12)21(25)26/h3-9,11,16,18H,2,10H2,1H3,(H,23,24)