(3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoate

Systemtic Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoate Openeye Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoate CAS Name: (3S)-3-(2,5-dimethyl-1-pyrrolyl)-3-(4-nitrophenyl)propanoate IUPAC Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoate Traditional Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propionate Formula: C15H15N2O4- MolecularWeight: 287.2906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(CC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1[C@@H](CC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H16N2O4/c1-10-3-4-11(2)16(10)14(9-15(18)19)12-5-7-13(8-6-12)17(20)21/h3-8,14H,9H2,1-2H3,(H,18,19)/p-1/t14-/m0/s1