(1-phenyl-2-pyrrolidin-1-yl-ethyl) (E)-3-(2-nitrophenyl)prop-2-enoate hydrochloride

Systemtic Name: (1-phenyl-2-pyrrolidin-1-yl-ethyl) (E)-3-(2-nitrophenyl)prop-2-enoate hydrochloride Openeye Name: (1-phenyl-2-pyrrolidin-1-yl-ethyl) (E)-3-(2-nitrophenyl)prop-2-enoate hydrochloride CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [1-phenyl-2-(1-pyrrolidinyl)ethyl] ester hydrochloride IUPAC Name: (1-phenyl-2-pyrrolidin-1-ylethyl) (E)-3-(2-nitrophenyl)prop-2-enoate hydrochloride Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid (1-phenyl-2-pyrrolidino-ethyl) ester hydrochloride Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-].Cl

InChI

InChI=1S/C21H22N2O4.ClH/c24-21(13-12-17-8-4-5-11-19(17)23(25)26)27-20(16-22-14-6-7-15-22)18-9-2-1-3-10-18;/h1-5,8-13,20H,6-7,14-16H2;1H/b13-12+;