N,N-bis(cyanomethyl)-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N,N-bis(cyanomethyl)-2-methyl-3,5-dinitro-benzamide Openeye Name: N,N-bis(cyanomethyl)-2-methyl-3,5-dinitro-benzamide CAS Name: N,N-bis(cyanomethyl)-2-methyl-3,5-dinitrobenzamide IUPAC Name: N,N-bis(cyanomethyl)-2-methyl-3,5-dinitrobenzamide Traditional Name: N,N-bis(cyanomethyl)-2-methyl-3,5-dinitro-benzamide Formula: C12H9N5O5 MolecularWeight: 303.23036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N(CC#N)CC#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N(CC#N)CC#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O5/c1-8-10(12(18)15(4-2-13)5-3-14)6-9(16(19)20)7-11(8)17(21)22/h6-7H,4-5H2,1H3