(E)-3-(2-nitrophenyl)prop-2-enoic acid; 1-phenyl-2-pyrrolidin-1-yl-ethanol; hydrochloride

Systemtic Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid; 1-phenyl-2-pyrrolidin-1-yl-ethanol; hydrochloride Openeye Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid; 1-phenyl-2-pyrrolidin-1-yl-ethanol; hydrochloride CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid; 1-phenyl-2-(1-pyrrolidinyl)ethanol; hydrochloride IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid; 1-phenyl-2-pyrrolidin-1-ylethanol; hydrochloride Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid; 1-phenyl-2-pyrrolidino-ethanol; hydrochloride Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO.C9H7NO4.ClH/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11;11-9(12)6-5-7-3-1-2-4-8(7)10(13)14;/h1-3,6-7,12,14H,4-5,8-10H2;1-6H,(H,11,12);1H/b;6-5+;