8-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-8-oxo-octanoic acid CAS Name: 8-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-8-oxooctanoic acid IUPAC Name: 8-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoic acid Traditional Name: 8-keto-8-[[4-(3-nitrophenyl)thiazol-2-yl]amino]caprylic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)CCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C17H19N3O5S/c21-15(8-3-1-2-4-9-16(22)23)19-17-18-14(11-26-17)12-6-5-7-13(10-12)20(24)25/h5-7,10-11H,1-4,8-9H2,(H,22,23)(H,18,19,21)