2-azanyl-3-[2-[(3,5-dinitrophenyl)methyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(3,5-dinitrophenyl)methyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[2-[(3,5-dinitrophenyl)methyl]phenyl]propanoic acid CAS Name: 2-amino-3-[2-[(3,5-dinitrophenyl)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-[(3,5-dinitrophenyl)methyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[2-(3,5-dinitrobenzyl)phenyl]propionic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6/c17-15(16(20)21)8-12-4-2-1-3-11(12)5-10-6-13(18(22)23)9-14(7-10)19(24)25/h1-4,6-7,9,15H,5,8,17H2,(H,20,21)