(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-nitrophenoxy)propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-nitrophenoxy)propan-1-one Openeye Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-nitrophenoxy)propan-1-one CAS Name: (2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(4-nitrophenoxy)-1-propanone IUPAC Name: (2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-nitrophenoxy)propan-1-one Traditional Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-nitrophenoxy)propan-1-one Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4/c1-14-13-20(15(2)22(14)17-7-5-4-6-8-17)21(24)16(3)27-19-11-9-18(10-12-19)23(25)26/h4-13,16H,1-3H3/t16-/m0/s1