[2-[(1Z)-2-bromanyl-3-methyl-buta-1,3-dienyl]phenyl] 4-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=CC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(=C)/C(=C/C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/Br

InChI

InChI=1S/C18H14BrNO4/c1-12(2)16(19)11-14-5-3-4-6-17(14)24-18(21)13-7-9-15(10-8-13)20(22)23/h3-11H,1H2,2H3/b16-11-