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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

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