3-nitro-N-[2-oxidanylidene-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[3-(1-pyrazolyl)propylamino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide Traditional Name: N-[2-keto-2-(3-pyrazol-1-ylpropylamino)ethyl]-3-nitro-benzamide Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)NCCCN2C=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)NCCCN2C=CC=N2

InChI

InChI=1S/C15H17N5O4/c21-14(16-6-2-8-19-9-3-7-18-19)11-17-15(22)12-4-1-5-13(10-12)20(23)24/h1,3-5,7,9-10H,2,6,8,11H2,(H,16,21)(H,17,22)