[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C16H11BrClNO6 MolecularWeight: 428.61864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C16H11BrClNO6/c1-24-15-5-2-9(6-12(15)17)14(20)8-25-16(21)11-7-10(18)3-4-13(11)19(22)23/h2-7H,8H2,1H3