5-[3-nitro-4,5-bis(oxidanyl)phenyl]-N-prop-2-ynyl-pentanamide

Systemtic Name: 5-[3-nitro-4,5-bis(oxidanyl)phenyl]-N-prop-2-ynyl-pentanamide Openeye Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-N-prop-2-ynyl-pentanamide CAS Name: 5-(3,4-dihydroxy-5-nitrophenyl)-N-prop-2-ynylpentanamide IUPAC Name: 5-(3,4-dihydroxy-5-nitrophenyl)-N-prop-2-ynylpentanamide Traditional Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-N-propargyl-valeramide Formula: C14H16N2O5 MolecularWeight: 292.28724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CCCCC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)CCCCC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5/c1-2-7-15-13(18)6-4-3-5-10-8-11(16(20)21)14(19)12(17)9-10/h1,8-9,17,19H,3-7H2,(H,15,18)