[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H13BrCl2N2O5 MolecularWeight: 476.10552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrCl2N2O5/c1-9(12-4-3-11(19)7-14(12)20)21-16(23)8-27-17(24)10-2-5-13(18)15(6-10)22(25)26/h2-7,9H,8H2,1H3,(H,21,23)