(3-bromanyl-4-methoxy-phenyl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

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

InChI

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