N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-(4-ethylbenzyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6/c1-2-11-3-5-12(6-4-11)7-16-20-21-18(29-16)19-17(24)13-8-14(22(25)26)10-15(9-13)23(27)28/h3-6,8-10H,2,7H2,1H3,(H,19,21,24)