(E)-N-[(2S)-5-methylhexan-2-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[(2S)-5-methylhexan-2-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[(1S)-1,4-dimethylpentyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[(2S)-5-methylhexan-2-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[(2S)-5-methylhexan-2-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[(1S)-1,4-dimethylpentyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H22N2O5 MolecularWeight: 334.36698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-11(2)4-5-12(3)18-17(20)7-6-13-8-15-16(24-10-23-15)9-14(13)19(21)22/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,20)/b7-6+/t12-/m0/s1