[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14FN3O6S MolecularWeight: 419.383663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FN3O6S/c19-11-6-5-10(7-13(11)22(26)27)20-16(23)9-28-17(24)8-15-18(25)21-12-3-1-2-4-14(12)29-15/h1-7,15H,8-9H2,(H,20,23)(H,21,25)