3-[(3,4-dichlorophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(3,4-dichlorophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 3-[(3,4-dichlorophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3,4-dichlorobenzyl)-(4-nitrobenzyl)amino]propionic acid Formula: C17H16Cl2N2O4 MolecularWeight: 383.22594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCC(=O)O)CC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN(CCC(=O)O)CC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16Cl2N2O4/c18-15-6-3-13(9-16(15)19)11-20(8-7-17(22)23)10-12-1-4-14(5-2-12)21(24)25/h1-6,9H,7-8,10-11H2,(H,22,23)