[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C19H17N3O5S MolecularWeight: 399.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c23-17(20-13-6-1-3-8-15(13)22(25)26)12-27-19(24)11-5-10-18-21-14-7-2-4-9-16(14)28-18/h1-4,6-9H,5,10-12H2,(H,20,23)