N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methoxy-3-nitro-phenyl)prop-2-enamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methoxy-3-nitro-phenyl)prop-2-enamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methoxy-3-nitro-phenyl)prop-2-enamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methoxy-3-nitrophenyl)-2-propenamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methoxy-3-nitrophenyl)prop-2-enamide Traditional Name: 2-cyano-3-(4-methoxy-3-nitro-phenyl)-N-piperonyl-acrylamide Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6/c1-26-16-4-2-12(7-15(16)22(24)25)6-14(9-20)19(23)21-10-13-3-5-17-18(8-13)28-11-27-17/h2-8H,10-11H2,1H3,(H,21,23)