2-(2,4-dinitrophenyl)-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(2,4-dinitrophenyl)-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(2,4-dinitrophenyl)-3-(4-methylpiperazin-1-yl)-3-oxo-propanenitrile CAS Name: 2-(2,4-dinitrophenyl)-3-(4-methyl-1-piperazinyl)-3-oxopropanenitrile IUPAC Name: 2-(2,4-dinitrophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile Traditional Name: 2-(2,4-dinitrophenyl)-3-keto-3-(4-methylpiperazino)propionitrile Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O5/c1-16-4-6-17(7-5-16)14(20)12(9-15)11-3-2-10(18(21)22)8-13(11)19(23)24/h2-3,8,12H,4-7H2,1H3