2-(chloromethyl)-N-methyl-4-nitro-N-(thiophen-3-ylmethyl)aniline

Systemtic Name: 2-(chloromethyl)-N-methyl-4-nitro-N-(thiophen-3-ylmethyl)aniline Openeye Name: 2-(chloromethyl)-N-methyl-4-nitro-N-(3-thienylmethyl)aniline CAS Name: 2-(chloromethyl)-N-methyl-4-nitro-N-(3-thiophenylmethyl)aniline IUPAC Name: 2-(chloromethyl)-N-methyl-4-nitro-N-(thiophen-3-ylmethyl)aniline Traditional Name: [2-(chloromethyl)-4-nitro-phenyl]-methyl-(3-thenyl)amine Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])CCl

Isomeric SMILES

CN(CC1=CSC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])CCl

InChI

InChI=1S/C13H13ClN2O2S/c1-15(8-10-4-5-19-9-10)13-3-2-12(16(17)18)6-11(13)7-14/h2-6,9H,7-8H2,1H3