5-[[5-fluoranyl-4-(methylideneamino)-2-nitro-phenyl]amino]-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[[5-fluoranyl-4-(methylideneamino)-2-nitro-phenyl]amino]-2-methyl-benzenesulfonic acid Openeye Name: 5-[5-fluoro-4-(methyleneamino)-2-nitro-anilino]-2-methyl-benzenesulfonic acid CAS Name: 5-[5-fluoro-4-(methyleneamino)-2-nitroanilino]-2-methylbenzenesulfonic acid IUPAC Name: 5-[5-fluoro-4-(methylideneamino)-2-nitroanilino]-2-methylbenzenesulfonic acid Traditional Name: 5-[5-fluoro-4-(methyleneamino)-2-nitro-anilino]-2-methyl-besylic acid Formula: C14H12FN3O5S MolecularWeight: 353.325583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C(=C2)F)N=C)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C(=C2)F)N=C)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C14H12FN3O5S/c1-8-3-4-9(5-14(8)24(21,22)23)17-12-6-10(15)11(16-2)7-13(12)18(19)20/h3-7,17H,2H2,1H3,(H,21,22,23)