5-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C17H24N4O4/c1-3-8-18-16(22)12(2)19-17(23)14-11-13(21(24)25)6-7-15(14)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,22)(H,19,23)/t12-/m0/s1