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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (3-bromo-4-methoxy-benzyl) ester Formula: C16H15BrN2O5 MolecularWeight: 395.2047

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN2O5/c1-18-13-5-4-11(8-14(13)19(21)22)16(20)24-9-10-3-6-15(23-2)12(17)7-10/h3-8,18H,9H2,1-2H3