(phenylmethyl) 2-ethanoyl-3-(1-nitronaphthalen-2-yl)butanoate

Systemtic Name: (phenylmethyl) 2-ethanoyl-3-(1-nitronaphthalen-2-yl)butanoate Openeye Name: benzyl 2-acetyl-3-(1-nitro-2-naphthyl)butanoate CAS Name: 2-acetyl-3-(1-nitro-2-naphthalenyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-3-(1-nitronaphthalen-2-yl)butanoate Traditional Name: 2-acetyl-3-(1-nitro-2-naphthyl)butyric acid benzyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-])C(C(=O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-])C(C(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H21NO5/c1-15(19-13-12-18-10-6-7-11-20(18)22(19)24(27)28)21(16(2)25)23(26)29-14-17-8-4-3-5-9-17/h3-13,15,21H,14H2,1-2H3