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

Systemtic Name: (E)-2-cyano-N-cyclopentyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclopentyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-cyclopentyl-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclopentyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclopentyl-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N

InChI

InChI=1S/C16H15N3O5/c17-8-11(16(20)18-12-3-1-2-4-12)5-10-6-14-15(24-9-23-14)7-13(10)19(21)22/h5-7,12H,1-4,9H2,(H,18,20)/b11-5+