N-[[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-(2-nitrophenyl)ethanamide

Systemtic Name: N-[[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-(2-nitrophenyl)ethanamide Openeye Name: N-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-(2-nitrophenyl)acetamide CAS Name: N-[[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-(2-nitrophenyl)acetamide IUPAC Name: N-[[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-nitrophenyl)acetamide Traditional Name: N-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-(2-nitrophenyl)acetamide Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C=NNC(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C=NNC(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H21BrN4O3/c1-14-10-19(8-9-20(14)23)26-15(2)11-18(16(26)3)13-24-25-22(28)12-17-6-4-5-7-21(17)27(29)30/h4-11,13H,12H2,1-3H3,(H,25,28)