[1-(2-bromophenyl)-2-methyl-buta-2,3-dienyl] 4-nitrobenzoate

Systemtic Name: [1-(2-bromophenyl)-2-methyl-buta-2,3-dienyl] 4-nitrobenzoate Openeye Name: [1-(2-bromophenyl)-2-methyl-buta-2,3-dienyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(2-bromophenyl)-2-methylbuta-2,3-dienyl] ester IUPAC Name: [1-(2-bromophenyl)-2-methylbuta-2,3-dienyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(2-bromophenyl)-2-methyl-buta-2,3-dienyl] ester Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=C)C(C1=CC=CC=C1Br)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C=C)C(C1=CC=CC=C1Br)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrNO4/c1-3-12(2)17(15-6-4-5-7-16(15)19)24-18(21)13-8-10-14(11-9-13)20(22)23/h4-11,17H,1H2,2H3