(3-bromanyl-4-methoxy-phenyl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (3-bromo-4-methoxy-benzyl) ester Formula: C16H14BrNO5 MolecularWeight: 380.19006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrNO5/c1-10-3-5-12(8-14(10)18(20)21)16(19)23-9-11-4-6-15(22-2)13(17)7-11/h3-8H,9H2,1-2H3