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

Systemtic Name: (E)-N-(3-cyanophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3-cyanophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(3-cyanophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3-cyanophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(3-cyanophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H11N3O5 MolecularWeight: 337.28634

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5/c18-9-11-2-1-3-13(6-11)19-17(21)5-4-12-7-15-16(25-10-24-15)8-14(12)20(22)23/h1-8H,10H2,(H,19,21)/b5-4+