5-(3-azanyl-5-methyl-4-nitro-thiophen-2-yl)pentanoate

Systemtic Name: 5-(3-azanyl-5-methyl-4-nitro-thiophen-2-yl)pentanoate Openeye Name: 5-(3-amino-5-methyl-4-nitro-2-thienyl)pentanoate CAS Name: 5-(3-amino-5-methyl-4-nitro-2-thiophenyl)pentanoate IUPAC Name: 5-(3-amino-5-methyl-4-nitrothiophen-2-yl)pentanoate Traditional Name: 5-(3-amino-5-methyl-4-nitro-2-thienyl)valerate Formula: C10H13N2O4S- MolecularWeight: 257.28622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)CCCCC(=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(S1)CCCCC(=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O4S/c1-6-10(12(15)16)9(11)7(17-6)4-2-3-5-8(13)14/h2-5,11H2,1H3,(H,13,14)/p-1