2-[(5-fluoranyl-2-methyl-phenyl)amino]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-[(5-fluoranyl-2-methyl-phenyl)amino]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-(5-fluoro-2-methyl-anilino)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-(5-fluoro-2-methylanilino)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-(5-fluoro-2-methylanilino)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-(5-fluoro-2-methyl-anilino)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C18H18FN3O5 MolecularWeight: 375.351023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)F)NCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C18H18FN3O5/c1-11-3-4-12(19)7-13(11)20-10-18(23)21-14-8-16-17(9-15(14)22(24)25)27-6-2-5-26-16/h3-4,7-9,20H,2,5-6,10H2,1H3,(H,21,23)