2-[(2S)-2-azanyl-3-methyl-pentanoyl]-N-(3-chloranyl-4-nitro-phenyl)pyrazolidine-1-carboxamide

Systemtic Name: 2-[(2S)-2-azanyl-3-methyl-pentanoyl]-N-(3-chloranyl-4-nitro-phenyl)pyrazolidine-1-carboxamide Openeye Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(3-chloro-4-nitro-phenyl)pyrazolidine-1-carboxamide CAS Name: 2-[(2S)-2-amino-3-methyl-1-oxopentyl]-N-(3-chloro-4-nitrophenyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-[(2S)-2-amino-3-methylpentanoyl]-N-(3-chloro-4-nitrophenyl)pyrazolidine-1-carboxamide Traditional Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(3-chloro-4-nitro-phenyl)pyrazolidine-1-carboxamide Formula: C16H22ClN5O4 MolecularWeight: 383.82998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN5O4/c1-3-10(2)14(18)15(23)20-7-4-8-21(20)16(24)19-11-5-6-13(22(25)26)12(17)9-11/h5-6,9-10,14H,3-4,7-8,18H2,1-2H3,(H,19,24)/t10?,14-/m0/s1