[2-(pyrrolidin-1-ylmethyl)phenyl]methyl 2-chloranyl-4-nitro-benzoate hydrochloride

Systemtic Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 2-chloranyl-4-nitro-benzoate hydrochloride Openeye Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 2-chloro-4-nitro-benzoate hydrochloride CAS Name: 2-chloro-4-nitrobenzoic acid [2-(1-pyrrolidinylmethyl)phenyl]methyl ester hydrochloride IUPAC Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 2-chloro-4-nitrobenzoate hydrochloride Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(pyrrolidinomethyl)benzyl] ester hydrochloride Formula: C19H20Cl2N2O4 MolecularWeight: 411.2791

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.Cl

InChI

InChI=1S/C19H19ClN2O4.ClH/c20-18-11-16(22(24)25)7-8-17(18)19(23)26-13-15-6-2-1-5-14(15)12-21-9-3-4-10-21;/h1-2,5-8,11H,3-4,9-10,12-13H2;1H