N-methyl-N-(2,4,6-trinitrophenyl)nitramide

Systemtic Name: N-methyl-N-(2,4,6-trinitrophenyl)nitramide Openeye Name: N-methyl-N-(2,4,6-trinitrophenyl)nitramide CAS Name: N-methyl-N-(2,4,6-trinitrophenyl)nitramide IUPAC Name: N-methyl-N-(2,4,6-trinitrophenyl)nitramide Traditional Name: N-methyl-N-picryl-nitramide Formula: C21H15N15O24 MolecularWeight: 861.4299

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/3C7H5N5O8/c3*1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h3*2-3H,1H3