3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylamino]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylamino]propanoic acid Openeye Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylamino]propanoic acid CAS Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylamino]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylamino]propanoic acid Traditional Name: 2-[(4-nitrobenzyl)amino]-3-(4-nitrophenyl)propionic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c20-16(21)15(9-11-1-5-13(6-2-11)18(22)23)17-10-12-3-7-14(8-4-12)19(24)25/h1-8,15,17H,9-10H2,(H,20,21)