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

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-(2-pyridyl)ethyl]prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-(2-pyridinyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-(2-pyridyl)ethyl]acrylamide Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C[C@H](C1=CC=CC=N1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H15N3O5/c1-11(13-4-2-3-7-18-13)19-17(21)6-5-12-8-15-16(25-10-24-15)9-14(12)20(22)23/h2-9,11H,10H2,1H3,(H,19,21)/b6-5+/t11-/m1/s1