ethanedioic acid; N-ethyl-2-methyl-N-[(5-nitrothiophen-2-yl)methyl]prop-2-en-1-amine

Systemtic Name: ethanedioic acid; N-ethyl-2-methyl-N-[(5-nitrothiophen-2-yl)methyl]prop-2-en-1-amine Openeye Name: N-ethyl-2-methyl-N-[(5-nitro-2-thienyl)methyl]prop-2-en-1-amine; oxalic acid CAS Name: N-ethyl-2-methyl-N-[(5-nitro-2-thiophenyl)methyl]-2-propen-1-amine; oxalic acid IUPAC Name: N-ethyl-2-methyl-N-[(5-nitrothiophen-2-yl)methyl]prop-2-en-1-amine; oxalic acid Traditional Name: ethyl-(2-methylallyl)-[(5-nitro-2-thienyl)methyl]amine; oxalic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)[N+](=O)[O-])CC(=C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC1=CC=C(S1)[N+](=O)[O-])CC(=C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H16N2O2S.C2H2O4/c1-4-12(7-9(2)3)8-10-5-6-11(16-10)13(14)15;3-1(4)2(5)6/h5-6H,2,4,7-8H2,1,3H3;(H,3,4)(H,5,6)