methyl 4-[2-(3-bromophenyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(3-bromophenyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(3-bromophenyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(3-bromophenyl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO6/c1-23-16(20)11-5-6-15(13(8-11)18(21)22)24-9-14(19)10-3-2-4-12(17)7-10/h2-8H,9H2,1H3