6-[(6-nitro-1,3-benzothiazol-2-yl)amino]-6-oxidanylidene-hexanoate

Systemtic Name: 6-[(6-nitro-1,3-benzothiazol-2-yl)amino]-6-oxidanylidene-hexanoate Openeye Name: 6-[(6-nitro-1,3-benzothiazol-2-yl)amino]-6-oxo-hexanoate CAS Name: 6-[(6-nitro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoate IUPAC Name: 6-[(6-nitro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoate Traditional Name: 6-keto-6-[(6-nitro-1,3-benzothiazol-2-yl)amino]hexanoate Formula: C13H12N3O5S- MolecularWeight: 322.31648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCCCC(=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c17-11(3-1-2-4-12(18)19)15-13-14-9-6-5-8(16(20)21)7-10(9)22-13/h5-7H,1-4H2,(H,18,19)(H,14,15,17)/p-1