3-[(4-bromophenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-bromophenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-bromophenyl)methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-bromobenzyl)-(4-methoxy-3-nitro-benzyl)amino]propionic acid Formula: C18H19BrN2O5 MolecularWeight: 423.25786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN2O5/c1-26-17-7-4-14(10-16(17)21(24)25)12-20(9-8-18(22)23)11-13-2-5-15(19)6-3-13/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)