[2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C17H13FN4O5S MolecularWeight: 404.372323

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13FN4O5S/c1-19-11-4-2-9(6-13(11)22(25)26)16(24)27-8-15(23)21-17-20-12-5-3-10(18)7-14(12)28-17/h2-7,19H,8H2,1H3,(H,20,21,23)