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

Systemtic Name: 3-[(4-cyanophenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-cyanophenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-cyanophenyl)methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-cyanophenyl)methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-cyanobenzyl)-(4-methoxy-3-nitro-benzyl)amino]propionic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c1-27-18-7-6-16(10-17(18)22(25)26)13-21(9-8-19(23)24)12-15-4-2-14(11-20)3-5-15/h2-7,10H,8-9,12-13H2,1H3,(H,23,24)