1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-nitrophenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(2-nitrophenoxy)ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-nitrophenoxy)ethanone Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4/c1-15-12-18(16(2)22(15)13-17-8-4-3-5-9-17)20(24)14-27-21-11-7-6-10-19(21)23(25)26/h3-12H,13-14H2,1-2H3