2-[(4-methylphenyl)methylamino]-3-(5-nitro-2-phenyl-phenyl)propanoate hydrochloride

Systemtic Name: 2-[(4-methylphenyl)methylamino]-3-(5-nitro-2-phenyl-phenyl)propanoate hydrochloride Openeye Name: 3-(5-nitro-2-phenyl-phenyl)-2-(p-tolylmethylamino)propanoate hydrochloride CAS Name: 2-[(4-methylphenyl)methylamino]-3-(5-nitro-2-phenylphenyl)propanoate hydrochloride IUPAC Name: 2-[(4-methylphenyl)methylamino]-3-(5-nitro-2-phenylphenyl)propanoate hydrochloride Traditional Name: 2-[(4-methylbenzyl)amino]-3-(5-nitro-2-phenyl-phenyl)propionate hydrochloride Formula: C23H22ClN2O4- MolecularWeight: 425.88478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(CC2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)[O-].Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(CC2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)[O-].Cl

InChI

InChI=1S/C23H22N2O4.ClH/c1-16-7-9-17(10-8-16)15-24-22(23(26)27)14-19-13-20(25(28)29)11-12-21(19)18-5-3-2-4-6-18;/h2-13,22,24H,14-15H2,1H3,(H,26,27);1H/p-1