methyl 5-[[(4-bromanyl-2-nitro-phenyl)amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(4-bromanyl-2-nitro-phenyl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(4-bromo-2-nitro-anilino)methyl]-2-methoxy-benzoate CAS Name: 5-[(4-bromo-2-nitroanilino)methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(4-bromo-2-nitroanilino)methyl]-2-methoxybenzoate Traditional Name: 5-[(4-bromo-2-nitro-anilino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C16H15BrN2O5 MolecularWeight: 395.2047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-])C(=O)OC

InChI

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