2-[(2S)-2-azanyl-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide hydrochloride

Systemtic Name: 2-[(2S)-2-azanyl-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide hydrochloride Openeye Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide hydrochloride CAS Name: 2-[(2S)-2-amino-3-methyl-1-oxopentyl]-N-(3-nitrophenyl)-1-pyrazolidinecarboxamide hydrochloride IUPAC Name: 2-[(2S)-2-amino-3-methylpentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide hydrochloride Traditional Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide hydrochloride Formula: C16H24ClN5O4 MolecularWeight: 385.84586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCN1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])N.Cl

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCCN1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])N.Cl

InChI

InChI=1S/C16H23N5O4.ClH/c1-3-11(2)14(17)15(22)19-8-5-9-20(19)16(23)18-12-6-4-7-13(10-12)21(24)25;/h4,6-7,10-11,14H,3,5,8-9,17H2,1-2H3,(H,18,23);1H/t11?,14-;/m0./s1