N-methyl-3,5-dinitro-N-(phenylmethyl)thiophen-2-amine

Systemtic Name: N-methyl-3,5-dinitro-N-(phenylmethyl)thiophen-2-amine Openeye Name: N-benzyl-N-methyl-3,5-dinitro-thiophen-2-amine CAS Name: N-methyl-3,5-dinitro-N-(phenylmethyl)-2-thiophenamine IUPAC Name: N-benzyl-N-methyl-3,5-dinitrothiophen-2-amine Traditional Name: benzyl-(3,5-dinitro-2-thienyl)-methyl-amine Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c1-13(8-9-5-3-2-4-6-9)12-10(14(16)17)7-11(20-12)15(18)19/h2-7H,8H2,1H3