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

Systemtic Name: 2-[(2S)-2-azanyl-3-methyl-butanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide Openeye Name: 2-[(2S)-2-amino-3-methyl-butanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide CAS Name: 2-[(2S)-2-amino-3-methyl-1-oxobutyl]-N-(3-nitrophenyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-[(2S)-2-amino-3-methylbutanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide Traditional Name: 2-[(2S)-2-amino-3-methyl-butanoyl]-N-(3-nitrophenyl)pyrazolidine-1-carboxamide Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4/c1-10(2)13(16)14(21)18-7-4-8-19(18)15(22)17-11-5-3-6-12(9-11)20(23)24/h3,5-6,9-10,13H,4,7-8,16H2,1-2H3,(H,17,22)/t13-/m0/s1