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

Systemtic Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid Openeye Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid CAS Name: (3S)-3-(2,5-dimethyl-1-pyrrolyl)-3-(4-nitrophenyl)propanoic acid IUPAC Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propanoic acid Traditional Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-nitrophenyl)propionic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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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)/t14-/m0/s1