3-nitro-3-phenyl-2-[(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-nitro-3-phenyl-2-[(phenylmethyl)amino]propanoic acid Openeye Name: 2-(benzylamino)-3-nitro-3-phenyl-propanoic acid CAS Name: 3-nitro-3-phenyl-2-[(phenylmethyl)amino]propanoic acid IUPAC Name: 2-(benzylamino)-3-nitro-3-phenylpropanoic acid Traditional Name: 2-(benzylamino)-3-nitro-3-phenyl-propionic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c19-16(20)14(17-11-12-7-3-1-4-8-12)15(18(21)22)13-9-5-2-6-10-13/h1-10,14-15,17H,11H2,(H,19,20)