ethyl 3-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylamino]propanoate hydrochloride

Systemtic Name: ethyl 3-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylamino]propanoate hydrochloride Openeye Name: ethyl 3-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylamino]propanoate hydrochloride CAS Name: 3-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylamino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylamino]propanoate hydrochloride Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[(4-nitrobenzyl)amino]propionic acid ethyl ester hydrochloride Formula: C20H25ClN2O6 MolecularWeight: 424.8753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OC)OC)NCC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)OC)OC)NCC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H24N2O6.ClH/c1-4-28-20(23)17(11-15-7-10-18(26-2)19(12-15)27-3)21-13-14-5-8-16(9-6-14)22(24)25;/h5-10,12,17,21H,4,11,13H2,1-3H3;1H