2-[4,4-bis(chloranyl)-2-nitro-cyclohexa-2,5-dien-1-yl]-N-methyl-1-(2-methylthiophen-3-yl)ethanamine

Systemtic Name: 2-[4,4-bis(chloranyl)-2-nitro-cyclohexa-2,5-dien-1-yl]-N-methyl-1-(2-methylthiophen-3-yl)ethanamine Openeye Name: 2-(4,4-dichloro-2-nitro-cyclohexa-2,5-dien-1-yl)-N-methyl-1-(2-methyl-3-thienyl)ethanamine CAS Name: 2-(4,4-dichloro-2-nitro-1-cyclohexa-2,5-dienyl)-N-methyl-1-(2-methyl-3-thiophenyl)ethanamine IUPAC Name: 2-(4,4-dichloro-2-nitrocyclohexa-2,5-dien-1-yl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine Traditional Name: [2-(4,4-dichloro-2-nitro-cyclohexa-2,5-dien-1-yl)-1-(2-methyl-3-thienyl)ethyl]-methyl-amine Formula: C14H16Cl2N2O2S MolecularWeight: 347.26004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CS1)C(CC2C=CC(C=C2[N+](=O)[O-])(Cl)Cl)NC

Isomeric SMILES

CC1=C(C=CS1)C(CC2C=CC(C=C2[N+](=O)[O-])(Cl)Cl)NC

InChI

InChI=1S/C14H16Cl2N2O2S/c1-9-11(4-6-21-9)12(17-2)7-10-3-5-14(15,16)8-13(10)18(19)20/h3-6,8,10,12,17H,7H2,1-2H3