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

Systemtic Name: 2-[(2S)-2-azanyl-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide Openeye Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide CAS Name: 2-[(2S)-2-amino-3-methyl-1-oxopentyl]-N-(3-nitrophenyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-[(2S)-2-amino-3-methylpentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide Traditional Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide Formula: C16H23N5O4 MolecularWeight: 349.38492

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4/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)/t11?,14-/m0/s1