4-(2-methylbut-3-yn-2-ylamino)-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-(2-methylbut-3-yn-2-ylamino)-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-(1,1-dimethylprop-2-ynylamino)-3,5-dinitro-benzonitrile CAS Name: 4-(2-methylbut-3-yn-2-ylamino)-3,5-dinitrobenzonitrile IUPAC Name: 4-(2-methylbut-3-yn-2-ylamino)-3,5-dinitrobenzonitrile Traditional Name: 4-(1,1-dimethylprop-2-ynylamino)-3,5-dinitro-benzonitrile Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC1=C(C=C(C=C1[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#C)NC1=C(C=C(C=C1[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4/c1-4-12(2,3)14-11-9(15(17)18)5-8(7-13)6-10(11)16(19)20/h1,5-6,14H,2-3H3