(phenylmethyl) N-(2-nitramido-2-oxidanylidene-ethyl)-N-(pyrrolidin-3-ylmethyl)carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-(2-nitramido-2-oxidanylidene-ethyl)-N-(pyrrolidin-3-ylmethyl)carbamate hydrochloride Openeye Name: benzyl N-(2-nitramido-2-oxo-ethyl)-N-(pyrrolidin-3-ylmethyl)carbamate hydrochloride CAS Name: N-(2-nitramido-2-oxoethyl)-N-(3-pyrrolidinylmethyl)carbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-(2-nitramido-2-oxoethyl)-N-(pyrrolidin-3-ylmethyl)carbamate hydrochloride Traditional Name: N-(2-keto-2-nitramido-ethyl)-N-(pyrrolidin-3-ylmethyl)carbamic acid benzyl ester hydrochloride Formula: C15H21ClN4O5 MolecularWeight: 372.80404

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CN(CC(=O)N[N+](=O)[O-])C(=O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

C1CNCC1CN(CC(=O)N[N+](=O)[O-])C(=O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C15H20N4O5.ClH/c20-14(17-19(22)23)10-18(9-13-6-7-16-8-13)15(21)24-11-12-4-2-1-3-5-12;/h1-5,13,16H,6-11H2,(H,17,20);1H