3-(5-nitro-2-phenyl-phenyl)-2-[(phenylmethyl)amino]propanoate hydrochloride

Systemtic Name: 3-(5-nitro-2-phenyl-phenyl)-2-[(phenylmethyl)amino]propanoate hydrochloride Openeye Name: 2-(benzylamino)-3-(5-nitro-2-phenyl-phenyl)propanoate hydrochloride CAS Name: 3-(5-nitro-2-phenylphenyl)-2-[(phenylmethyl)amino]propanoate hydrochloride IUPAC Name: 2-(benzylamino)-3-(5-nitro-2-phenylphenyl)propanoate hydrochloride Traditional Name: 2-(benzylamino)-3-(5-nitro-2-phenyl-phenyl)propionate hydrochloride Formula: C22H20ClN2O4- MolecularWeight: 411.8582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)[O-].Cl

InChI

InChI=1S/C22H20N2O4.ClH/c25-22(26)21(23-15-16-7-3-1-4-8-16)14-18-13-19(24(27)28)11-12-20(18)17-9-5-2-6-10-17;/h1-13,21,23H,14-15H2,(H,25,26);1H/p-1