N,N-bis(cyanomethyl)-2-methyl-3-nitro-benzamide

Systemtic Name: N,N-bis(cyanomethyl)-2-methyl-3-nitro-benzamide Openeye Name: N,N-bis(cyanomethyl)-2-methyl-3-nitro-benzamide CAS Name: N,N-bis(cyanomethyl)-2-methyl-3-nitrobenzamide IUPAC Name: N,N-bis(cyanomethyl)-2-methyl-3-nitrobenzamide Traditional Name: N,N-bis(cyanomethyl)-2-methyl-3-nitro-benzamide Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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