3-[(Z)-N-[(2,4-dinitrophenyl)amino]-C-propyl-carbonimidoyl]-1,2,4-oxadiazol-5-amine

Systemtic Name: 3-[(Z)-N-[(2,4-dinitrophenyl)amino]-C-propyl-carbonimidoyl]-1,2,4-oxadiazol-5-amine Openeye Name: 3-[(Z)-N-(2,4-dinitroanilino)-C-propyl-carbonimidoyl]-1,2,4-oxadiazol-5-amine CAS Name: 3-[(1Z)-1-[(2,4-dinitrophenyl)hydrazinylidene]butyl]-1,2,4-oxadiazol-5-amine IUPAC Name: 3-[(Z)-N-(2,4-dinitroanilino)-C-propylcarbonimidoyl]-1,2,4-oxadiazol-5-amine Traditional Name: [(Z)-1-(5-amino-1,2,4-oxadiazol-3-yl)butylideneamino]-(2,4-dinitrophenyl)amine Formula: C12H13N7O5 MolecularWeight: 335.27552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=NOC(=N2)N

Isomeric SMILES

CCC/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=NOC(=N2)N

InChI

InChI=1S/C12H13N7O5/c1-2-3-9(11-14-12(13)24-17-11)16-15-8-5-4-7(18(20)21)6-10(8)19(22)23/h4-6,15H,2-3H2,1H3,(H2,13,14,17)/b16-9-