N,N-bis(cyanomethyl)-3-methyl-4-nitro-benzamide

Systemtic Name: N,N-bis(cyanomethyl)-3-methyl-4-nitro-benzamide Openeye Name: N,N-bis(cyanomethyl)-3-methyl-4-nitro-benzamide CAS Name: N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide IUPAC Name: N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide Traditional Name: N,N-bis(cyanomethyl)-3-methyl-4-nitro-benzamide Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O3/c1-9-8-10(2-3-11(9)16(18)19)12(17)15(6-4-13)7-5-14/h2-3,8H,6-7H2,1H3