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

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(2R)-pentan-2-yl]prop-2-enamide Openeye Name: (E)-N-[(1R)-1-methylbutyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(2R)-pentan-2-yl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(2R)-pentan-2-yl]prop-2-enamide Traditional Name: (E)-N-[(1R)-1-methylbutyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-3-4-10(2)16-15(18)6-5-11-7-13-14(22-9-21-13)8-12(11)17(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)/b6-5+/t10-/m1/s1