(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-propan-2-yl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-2-cyano-N-isopropyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-propan-2-yl-2-propenamide IUPAC Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-propan-2-ylprop-2-enamide Traditional Name: (E)-2-cyano-N-isopropyl-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-8(2)16-14(18)10(6-15)3-9-4-12-13(22-7-21-12)5-11(9)17(19)20/h3-5,8H,7H2,1-2H3,(H,16,18)/b10-3+