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

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrNO5/c1-12-11-14(6-9-16(12)20(23)24)18(22)25-10-2-3-17(21)13-4-7-15(19)8-5-13/h4-9,11H,2-3,10H2,1H3