(2S)-4-methyl-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethanoylamino]pentanamide

Systemtic Name: (2S)-4-methyl-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethanoylamino]pentanamide Openeye Name: (2S)-4-methyl-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]pentanamide CAS Name: (2S)-4-methyl-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoethyl]amino]pentanamide IUPAC Name: (2S)-4-methyl-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]pentanamide Traditional Name: (2S)-4-methyl-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]valeramide Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C15H19N3O6/c1-8(2)3-10(15(16)20)17-14(19)5-9-4-12-13(24-7-23-12)6-11(9)18(21)22/h4,6,8,10H,3,5,7H2,1-2H3,(H2,16,20)(H,17,19)/t10-/m0/s1