[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H17FN4O7S MolecularWeight: 440.402883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])F

InChI

InChI=1S/C17H17FN4O7S/c1-10-2-3-11(6-13(10)18)21-16(23)9-29-17(24)8-20-30(27,28)12-4-5-14(19)15(7-12)22(25)26/h2-7,20H,8-9,19H2,1H3,(H,21,23)