5-[(E)-2-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole

Systemtic Name: 5-[(E)-2-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Openeye Name: 5-[(E)-2-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]vinyl]-3-methyl-4-nitro-isoxazole CAS Name: 5-[(E)-2-[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]ethenyl]-3-methyl-4-nitroisoxazole IUPAC Name: 5-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Traditional Name: 5-[(E)-2-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]vinyl]-3-methyl-4-nitro-isoxazole Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C=CC3=C(C(=NO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/C3=C(C(=NO3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3/c1-11-9-14(13(3)20(11)15-5-4-8-18-10-15)6-7-16-17(21(22)23)12(2)19-24-16/h4-10H,1-3H3/b7-6+