(4-bromophenyl)methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (4-bromophenyl)methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (4-bromophenyl)methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]acetic acid (4-bromobenzyl) ester Formula: C16H15BrN2O7S MolecularWeight: 459.2685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN2O7S/c1-25-13-6-7-15(14(8-13)19(21)22)27(23,24)18-9-16(20)26-10-11-2-4-12(17)5-3-11/h2-8,18H,9-10H2,1H3