(3-nitrophenyl)methyl 5-azanyl-4-oxidanylidene-pentanoate hydrochloride

Systemtic Name: (3-nitrophenyl)methyl 5-azanyl-4-oxidanylidene-pentanoate hydrochloride Openeye Name: (3-nitrophenyl)methyl 5-amino-4-oxo-pentanoate hydrochloride CAS Name: 5-amino-4-oxopentanoic acid (3-nitrophenyl)methyl ester hydrochloride IUPAC Name: (3-nitrophenyl)methyl 5-amino-4-oxopentanoate hydrochloride Traditional Name: 5-amino-4-keto-valeric acid (3-nitrobenzyl) ester hydrochloride Formula: C12H15ClN2O5 MolecularWeight: 302.7109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)CN.Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)CN.Cl

InChI

InChI=1S/C12H14N2O5.ClH/c13-7-11(15)4-5-12(16)19-8-9-2-1-3-10(6-9)14(17)18;/h1-3,6H,4-5,7-8,13H2;1H