N-(4-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: N-(4-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: N-(4-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: N-(4-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: N-(4-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: N-(4-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H10ClN3O5 MolecularWeight: 371.7314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClN3O5/c18-12-1-3-13(4-2-12)20-17(22)11(8-19)5-10-6-15-16(26-9-25-15)7-14(10)21(23)24/h1-7H,9H2,(H,20,22)