4-azanyl-N-[2-[(3-chloranyl-2-methyl-4,6-dinitro-phenyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide

Systemtic Name: 4-azanyl-N-[2-[(3-chloranyl-2-methyl-4,6-dinitro-phenyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide Openeye Name: 4-amino-N-[2-(3-chloro-2-methyl-4,6-dinitro-anilino)ethyl]-1,2,5-oxadiazole-3-carboxamide CAS Name: 4-amino-N-[2-(3-chloro-2-methyl-4,6-dinitroanilino)ethyl]-1,2,5-oxadiazole-3-carboxamide IUPAC Name: 4-amino-N-[2-(3-chloro-2-methyl-4,6-dinitroanilino)ethyl]-1,2,5-oxadiazole-3-carboxamide Traditional Name: 4-amino-N-[2-(3-chloro-2-methyl-4,6-dinitro-anilino)ethyl]furazan-3-carboxamide Formula: C12H12ClN7O6 MolecularWeight: 385.71998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])NCCNC(=O)C2=NON=C2N

Isomeric SMILES

CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])NCCNC(=O)C2=NON=C2N

InChI

InChI=1S/C12H12ClN7O6/c1-5-8(13)6(19(22)23)4-7(20(24)25)9(5)15-2-3-16-12(21)10-11(14)18-26-17-10/h4,15H,2-3H2,1H3,(H2,14,18)(H,16,21)