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

Systemtic Name: 4-[(5-fluoranyl-4-isocyano-2-nitro-phenyl)amino]-2-methyl-benzenesulfonic acid Openeye Name: 4-(5-fluoro-4-isocyano-2-nitro-anilino)-2-methyl-benzenesulfonic acid CAS Name: 4-(5-fluoro-4-isocyano-2-nitroanilino)-2-methylbenzenesulfonic acid IUPAC Name: 4-(5-fluoro-4-isocyano-2-nitroanilino)-2-methylbenzenesulfonic acid Traditional Name: 4-(5-fluoro-4-isocyano-2-nitro-anilino)-2-methyl-besylic acid Formula: C14H10FN3O5S MolecularWeight: 351.309703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10FN3O5S/c1-8-5-9(3-4-14(8)24(21,22)23)17-12-6-10(15)11(16-2)7-13(12)18(19)20/h3-7,17H,1H3,(H,21,22,23)