[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-4-methyl-benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-4-methyl-benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3,5-dibromo-4-methyl-benzoate CAS Name: 3,5-dibromo-4-methylbenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3,5-dibromo-4-methylbenzoate Traditional Name: 3,5-dibromo-4-methyl-benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C16H11Br2NO5 MolecularWeight: 457.07024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H11Br2NO5/c1-9-13(17)6-11(7-14(9)18)16(21)24-8-15(20)10-3-2-4-12(5-10)19(22)23/h2-7H,8H2,1H3