2,4-bis(azanyl)-3,5-dinitro-6-pentan-3-yl-benzenecarbonitrile

Systemtic Name: 2,4-bis(azanyl)-3,5-dinitro-6-pentan-3-yl-benzenecarbonitrile Openeye Name: 2,4-diamino-6-(1-ethylpropyl)-3,5-dinitro-benzonitrile CAS Name: 2,4-diamino-3,5-dinitro-6-pentan-3-ylbenzonitrile IUPAC Name: 2,4-diamino-3,5-dinitro-6-pentan-3-ylbenzonitrile Traditional Name: 2,4-diamino-6-(1-ethylpropyl)-3,5-dinitro-benzonitrile Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4/c1-3-6(4-2)8-7(5-13)9(14)12(17(20)21)10(15)11(8)16(18)19/h6H,3-4,14-15H2,1-2H3