N-methyl-2-nitro-N-(phenylmethyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline

Systemtic Name: N-methyl-2-nitro-N-(phenylmethyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline Openeye Name: N-benzyl-N-methyl-2-nitro-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]aniline CAS Name: N-methyl-2-nitro-N-(phenylmethyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline IUPAC Name: N-benzyl-N-methyl-2-nitro-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline Traditional Name: benzyl-methyl-[2-nitro-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]phenyl]amine Formula: C21H17N5O3 MolecularWeight: 387.39138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3/c1-25(14-15-5-3-2-4-6-15)18-8-7-17(13-19(18)26(27)28)21-23-20(24-29-21)16-9-11-22-12-10-16/h2-13H,14H2,1H3