3-nitro-3-phenyl-2-[(phenylmethyl)azaniumyl]propanoate

Systemtic Name: 3-nitro-3-phenyl-2-[(phenylmethyl)azaniumyl]propanoate Openeye Name: 2-(benzylammonio)-3-nitro-3-phenyl-propanoate CAS Name: 3-nitro-3-phenyl-2-[(phenylmethyl)ammonio]propanoate IUPAC Name: 2-(benzylazaniumyl)-3-nitro-3-phenylpropanoate Traditional Name: 2-(benzylammonio)-3-nitro-3-phenyl-propionate Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(C(C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C(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)