2-[methyl(thiolan-3-yl)amino]-5-nitro-benzaldehyde

Systemtic Name: 2-[methyl(thiolan-3-yl)amino]-5-nitro-benzaldehyde Openeye Name: 2-[methyl(tetrahydrothiophen-3-yl)amino]-5-nitro-benzaldehyde CAS Name: 2-[methyl(3-thiolanyl)amino]-5-nitrobenzaldehyde IUPAC Name: 2-[methyl(thiolan-3-yl)amino]-5-nitrobenzaldehyde Traditional Name: 2-[methyl(tetrahydrothiophen-3-yl)amino]-5-nitro-benzaldehyde Formula: C12H14N2O3S MolecularWeight: 266.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CN(C1CCSC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C12H14N2O3S/c1-13(11-4-5-18-8-11)12-3-2-10(14(16)17)6-9(12)7-15/h2-3,6-7,11H,4-5,8H2,1H3