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

Systemtic Name: 2-[(2S)-2-azanyl-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide chloride Openeye Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide chloride CAS Name: 2-[(2S)-2-amino-3-methyl-1-oxopentyl]-N-(3-nitrophenyl)-1-pyrazolidinecarboxamide chloride IUPAC Name: 2-[(2S)-2-amino-3-methylpentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide chloride Traditional Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide chloride Formula: C16H23ClN5O4- MolecularWeight: 384.83792

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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/p-1/t11?,14-;/m0./s1