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

Systemtic Name: N-methyl-5-[3-nitro-4,5-bis(oxidanyl)phenyl]-N-prop-2-ynyl-pentanamide Openeye Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-N-methyl-N-prop-2-ynyl-pentanamide CAS Name: 5-(3,4-dihydroxy-5-nitrophenyl)-N-methyl-N-prop-2-ynylpentanamide IUPAC Name: 5-(3,4-dihydroxy-5-nitrophenyl)-N-methyl-N-prop-2-ynylpentanamide Traditional Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-N-methyl-N-propargyl-valeramide Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-3-8-16(2)14(19)7-5-4-6-11-9-12(17(21)22)15(20)13(18)10-11/h1,9-10,18,20H,4-8H2,2H3