2-(4-bromanylphenoxy)ethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 2-(4-bromophenoxy)ethyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid 2-(4-bromophenoxy)ethyl ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O6/c1-12-10-13(2-7-16(12)21(24)25)18(23)20-11-17(22)27-9-8-26-15-5-3-14(19)4-6-15/h2-7,10H,8-9,11H2,1H3,(H,20,23)