[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H13FN2O7 MolecularWeight: 376.292723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

InChI

InChI=1S/C17H13FN2O7/c1-9-2-3-10(4-12(9)18)19-16(21)7-25-17(22)11-5-14-15(27-8-26-14)6-13(11)20(23)24/h2-6H,7-8H2,1H3,(H,19,21)